N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine

C18H22N2 — CID 117041504

IUPACN-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCN(c1cccc(CN)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H22N2/c1-20(17-8-4-5-14(11-17)13-19)18-10-9-15-6-2-3-7-16(15)12-18/h4-5,8-12H,2-3,6-7,13,19H2,1H3
InChIKeyYWKBQCVJDFNIAR-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.79
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine

N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 117041504) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID117041504
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCN(c1cccc(CN)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H22N2/c1-20(17-8-4-5-14(11-17)13-19)18-10-9-15-6-2-3-7-16(15)12-18/h4-5,8-12H,2-3,6-7,13,19H2,1H3
InChIKeyYWKBQCVJDFNIAR-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115212957
5,6,7,8-tetrahydronaphthalen-2-ylmethanamine;hydrochloride
CID 18993882
1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
CID 144987164
3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline
CID 117029116
3-[3-(aminomethyl)-N-methylanilino]phenol
CID 107733668
[3-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine
CID 61032630
5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one
CID 117041520
N-(3-ethoxyphenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 144987034
N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline
CID 117029123
3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline
CID 117029128
N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115211829
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine (CID 117041504) is N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine is CN(c1cccc(CN)c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is YWKBQCVJDFNIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-20(17-8-4-5-14(11-17)13-19)18-10-9-15-6-2-3-7-16(15)12-18/h4-5,8-12H,2-3,6-7,13,19H2,1H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 266.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 117041504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).