N-[(E,2S,3S)-3-(4-chlorophenyl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-methylnaphthalen-2-amine

C33H30ClN — CID 70282316

IUPACN-[(E,2S,3S)-3-(4-chlorophenyl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-methylnaphthalen-2-amine
SMILESC[C@@H]([C@@H](C/C=C/c1ccc2ccccc2c1)c1ccc(Cl)cc1)N(C)c1ccc2ccccc2c1
InChIInChI=1S/C33H30ClN/c1-24(35(2)32-21-18-27-10-4-6-12-30(27)23-32)33(28-16-19-31(34)20-17-28)13-7-8-25-14-15-26-9-3-5-11-29(26)22-25/h3-12,14-24,33H,13H2,1-2H3/b8-7+/t24-,33+/m0/s1
InChIKeyCJKKYVBZASZZTC-XGWKRYPQSA-N
MW476.06 g/mol
LogP9.36
Rot. Bonds7

About N-[(E,2S,3S)-3-(4-chlorophenyl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-methylnaphthalen-2-amine

N-[(E,2S,3S)-3-(4-chlorophenyl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-methylnaphthalen-2-amine (PubChem CID 70282316) has the molecular formula C33H30ClN and a molecular weight of 476.06 g/mol. Its IUPAC name is N-[(E,2S,3S)-3-(4-chlorophenyl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-methylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[(E,2S,3S)-3-(4-chlorophenyl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-methylnaphthalen-2-amine
PubChem CID70282316
Molecular FormulaC33H30ClN
Molecular Weight476.06 g/mol
Exact Mass475.21
IUPAC NameN-[(E,2S,3S)-3-(4-chlorophenyl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-methylnaphthalen-2-amine
SMILESC[C@@H]([C@@H](C/C=C/c1ccc2ccccc2c1)c1ccc(Cl)cc1)N(C)c1ccc2ccccc2c1
InChIInChI=1S/C33H30ClN/c1-24(35(2)32-21-18-27-10-4-6-12-30(27)23-32)33(28-16-19-31(34)20-17-28)13-7-8-25-14-15-26-9-3-5-11-29(26)22-25/h3-12,14-24,33H,13H2,1-2H3/b8-7+/t24-,33+/m0/s1
InChIKeyCJKKYVBZASZZTC-XGWKRYPQSA-N
XLogP9.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.06
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E,4S,5S)-5-azido-4-(4-chlorophenyl)hex-1-enyl]naphthalene
CID 139719716
(E)-3-(4-chlorophenyl)-N-[(3,4-difluorophenyl)methyl]-6-naphthalen-2-ylhex-5-en-2-amine
CID 19038637
(E)-3-(4-chlorophenyl)-6-naphthalen-2-yl-N-(quinolin-3-ylmethyl)hex-5-en-2-amine
CID 19038653
2-[(E)-4-methylpent-1-enyl]naphthalene
CID 15318830
N-[3-(1,3-benzodioxol-5-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-(naphthalen-2-ylmethyl)acetamide
CID 90699972
6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine
CID 70279599
2-[(E)-3-chloroprop-1-enyl]naphthalene
CID 12965767
6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine
CID 58667641
1-chloro-4-(4-methylpent-1-enyl)benzene
CID 156766327
3-naphthalen-2-ylprop-2-en-1-amine
CID 76997157
4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
CID 58649433
3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol
CID 59570736

Frequently Asked Questions

What is the IUPAC name of N-[(E,2S,3S)-3-(4-chlorophenyl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-methylnaphthalen-2-amine?
The IUPAC name of N-[(E,2S,3S)-3-(4-chlorophenyl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-methylnaphthalen-2-amine (CID 70282316) is N-[(E,2S,3S)-3-(4-chlorophenyl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-methylnaphthalen-2-amine.
What is the SMILES notation for N-[(E,2S,3S)-3-(4-chlorophenyl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-methylnaphthalen-2-amine?
The canonical SMILES for N-[(E,2S,3S)-3-(4-chlorophenyl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-methylnaphthalen-2-amine is C[C@@H]([C@@H](C/C=C/c1ccc2ccccc2c1)c1ccc(Cl)cc1)N(C)c1ccc2ccccc2c1.
What is the InChIKey of N-[(E,2S,3S)-3-(4-chlorophenyl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-methylnaphthalen-2-amine?
The InChIKey is CJKKYVBZASZZTC-XGWKRYPQSA-N. The full InChI is InChI=1S/C33H30ClN/c1-24(35(2)32-21-18-27-10-4-6-12-30(27)23-32)33(28-16-19-31(34)20-17-28)13-7-8-25-14-15-26-9-3-5-11-29(26)22-25/h3-12,14-24,33H,13H2,1-2H3/b8-7+/t24-,33+/m0/s1.
What are the key properties of N-[(E,2S,3S)-3-(4-chlorophenyl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-methylnaphthalen-2-amine?
N-[(E,2S,3S)-3-(4-chlorophenyl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-methylnaphthalen-2-amine has a molecular weight of 476.06 g/mol, XLogP of 9.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S,3S)-3-(4-chlorophenyl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-methylnaphthalen-2-amine is sourced from PubChem (CID 70282316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).