N-[(4-ethenylphenyl)methyl]-N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline

C29H33N — CID 177365047

IUPACN-[(4-ethenylphenyl)methyl]-N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline
SMILESC=Cc1ccc(CN(CC)c2cc(CC)ccc2C2CCc3ccccc3C2)cc1
InChIInChI=1S/C29H33N/c1-4-22-11-13-24(14-12-22)21-30(6-3)29-19-23(5-2)15-18-28(29)27-17-16-25-9-7-8-10-26(25)20-27/h4,7-15,18-19,27H,1,5-6,16-17,20-21H2,2-3H3
InChIKeyCNPFNGKTFWEFQJ-UHFFFAOYSA-N
MW395.59 g/mol
LogP7.19
Rot. Bonds7

About N-[(4-ethenylphenyl)methyl]-N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline

N-[(4-ethenylphenyl)methyl]-N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline (PubChem CID 177365047) has the molecular formula C29H33N and a molecular weight of 395.59 g/mol. Its IUPAC name is N-[(4-ethenylphenyl)methyl]-N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline.

Molecular Properties

Compound NameN-[(4-ethenylphenyl)methyl]-N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline
PubChem CID177365047
Molecular FormulaC29H33N
Molecular Weight395.59 g/mol
Exact Mass395.26
IUPAC NameN-[(4-ethenylphenyl)methyl]-N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline
SMILESC=Cc1ccc(CN(CC)c2cc(CC)ccc2C2CCc3ccccc3C2)cc1
InChIInChI=1S/C29H33N/c1-4-22-11-13-24(14-12-22)21-30(6-3)29-19-23(5-2)15-18-28(29)27-17-16-25-9-7-8-10-26(25)20-27/h4,7-15,18-19,27H,1,5-6,16-17,20-21H2,2-3H3
InChIKeyCNPFNGKTFWEFQJ-UHFFFAOYSA-N
XLogP7.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2R)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N,5-diethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]aniline
CID 174195295
N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline
CID 177365049
6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 76651701
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-5-methoxy-2-[(2S)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]aniline
CID 158340618
N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)aniline
CID 66627111
6-[2-[ethyl-[[4-[2-(methylamino)ethyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66627844
(6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58035839
N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-2-ylmethyl)aniline
CID 66626931
6-[2-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66626862
6-[2-[ethyl-[[4-[2-(ethylamino)ethyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 174206119
(6R)-6-[2-[[4-(4,4-dimethylpentyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58035862
(6R)-6-[2-[[4-[2-(cyclobutylmethylamino)ethoxy]phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66626933

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethenylphenyl)methyl]-N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline?
The IUPAC name of N-[(4-ethenylphenyl)methyl]-N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline (CID 177365047) is N-[(4-ethenylphenyl)methyl]-N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline.
What is the SMILES notation for N-[(4-ethenylphenyl)methyl]-N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline?
The canonical SMILES for N-[(4-ethenylphenyl)methyl]-N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline is C=Cc1ccc(CN(CC)c2cc(CC)ccc2C2CCc3ccccc3C2)cc1.
What is the InChIKey of N-[(4-ethenylphenyl)methyl]-N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline?
The InChIKey is CNPFNGKTFWEFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N/c1-4-22-11-13-24(14-12-22)21-30(6-3)29-19-23(5-2)15-18-28(29)27-17-16-25-9-7-8-10-26(25)20-27/h4,7-15,18-19,27H,1,5-6,16-17,20-21H2,2-3H3.
What are the key properties of N-[(4-ethenylphenyl)methyl]-N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline?
N-[(4-ethenylphenyl)methyl]-N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline has a molecular weight of 395.59 g/mol, XLogP of 7.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethenylphenyl)methyl]-N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline is sourced from PubChem (CID 177365047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).