N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine

C18H22N2 — CID 115212622

IUPACN-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCNc1ccc(CNc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C18H22N2/c1-19-17-9-6-14(7-10-17)13-20-18-11-8-15-4-2-3-5-16(15)12-18/h6-12,19-20H,2-5,13H2,1H3
InChIKeyYRIZPLYZWDQDEC-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.22
Rot. Bonds4

About N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine

N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 115212622) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID115212622
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCNc1ccc(CNc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C18H22N2/c1-19-17-9-6-14(7-10-17)13-20-18-11-8-15-4-2-3-5-16(15)12-18/h6-12,19-20H,2-5,13H2,1H3
InChIKeyYRIZPLYZWDQDEC-UHFFFAOYSA-N
XLogP4.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79968934
N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
CID 115226489
4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline
CID 82132113
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115197636
4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol
CID 107685267
N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115261521
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
CID 107619769
5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile
CID 65336582
N'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 82490968
N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79710387
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82538771
2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115254752

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine (CID 115212622) is N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine is CNc1ccc(CNc2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is YRIZPLYZWDQDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-19-17-9-6-14(7-10-17)13-20-18-11-8-15-4-2-3-5-16(15)12-18/h6-12,19-20H,2-5,13H2,1H3.
What are the key properties of N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 266.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 115212622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).