2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline

C17H22N2 — CID 79009081

IUPAC2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
SMILESC[C@@H](N)c1ccccc1N(C)CCc1ccccc1
InChIInChI=1S/C17H22N2/c1-14(18)16-10-6-7-11-17(16)19(2)13-12-15-8-4-3-5-9-15/h3-11,14H,12-13,18H2,1-2H3/t14-/m1/s1
InChIKeyJWUGFBYBJUKBGY-CQSZACIVSA-N
MW254.38 g/mol
LogP3.39
Rot. Bonds5

About 2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline

2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline (PubChem CID 79009081) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
PubChem CID79009081
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
SMILESC[C@@H](N)c1ccccc1N(C)CCc1ccccc1
InChIInChI=1S/C17H22N2/c1-14(18)16-10-6-7-11-17(16)19(2)13-12-15-8-4-3-5-9-15/h3-11,14H,12-13,18H2,1-2H3/t14-/m1/s1
InChIKeyJWUGFBYBJUKBGY-CQSZACIVSA-N
XLogP3.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[methyl(2-phenylethyl)amino]phenyl]ethanol
CID 65486288
2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline
CID 78936089
N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694909
1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935252
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989
2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 43188910
2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79476383
2-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81055890
3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile
CID 43188866
2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline
CID 43295960
2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 78935486
2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 115994911

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline (CID 79009081) is 2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline is C[C@@H](N)c1ccccc1N(C)CCc1ccccc1.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline?
The InChIKey is JWUGFBYBJUKBGY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2/c1-14(18)16-10-6-7-11-17(16)19(2)13-12-15-8-4-3-5-9-15/h3-11,14H,12-13,18H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline?
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline has a molecular weight of 254.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline is sourced from PubChem (CID 79009081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).