3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline

C17H22N2 — CID 105091075

IUPAC3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline
SMILESCc1cccc(CC(N)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C17H22N2/c1-13-6-4-7-14(10-13)11-17(18)15-8-5-9-16(12-15)19(2)3/h4-10,12,17H,11,18H2,1-3H3
InChIKeyLYYGCZZTQHZFIV-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.30
Rot. Bonds4

About 3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline

3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline (PubChem CID 105091075) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline
PubChem CID105091075
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline
SMILESCc1cccc(CC(N)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C17H22N2/c1-13-6-4-7-14(10-13)11-17(18)15-8-5-9-16(12-15)19(2)3/h4-10,12,17H,11,18H2,1-3H3
InChIKeyLYYGCZZTQHZFIV-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline
CID 105089022
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
3-[1-amino-2-(3-chloro-4-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 103043235
2-(3-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115790732
3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline
CID 105139782
(2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride
CID 146049704
1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 113460856
1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine
CID 115354108
3-(1-amino-2-ethoxyethyl)-N,N-dimethylaniline
CID 105165045
1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 105091201
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methylphenyl)ethanamine
CID 55068178
3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132494

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline (CID 105091075) is 3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline is Cc1cccc(CC(N)c2cccc(N(C)C)c2)c1.
What is the InChIKey of 3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline?
The InChIKey is LYYGCZZTQHZFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-6-4-7-14(10-13)11-17(18)15-8-5-9-16(12-15)19(2)3/h4-10,12,17H,11,18H2,1-3H3.
What are the key properties of 3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline?
3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline has a molecular weight of 254.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105091075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).