(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide

C12H19N3O — CID 61145682

IUPAC(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C12H19N3O/c1-9(13)12(16)14-11-6-4-5-10(7-11)8-15(2)3/h4-7,9H,8,13H2,1-3H3,(H,14,16)/t9-/m0/s1
InChIKeyGLKXPMWZPOKZJN-VIFPVBQESA-N
MW221.30 g/mol
LogP1.03
Rot. Bonds4

About (2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide

(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide (PubChem CID 61145682) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
PubChem CID61145682
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C12H19N3O/c1-9(13)12(16)14-11-6-4-5-10(7-11)8-15(2)3/h4-7,9H,8,13H2,1-3H3,(H,14,16)/t9-/m0/s1
InChIKeyGLKXPMWZPOKZJN-VIFPVBQESA-N
XLogP1.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-[(dimethylamino)methyl]phenyl]-3-methylbutanamide;dihydrochloride
CID 119853134
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
CID 43704239
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
3-chloro-N-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
CID 62727196
3-amino-N-[3-[(dimethylamino)methyl]phenyl]butanamide;dihydrochloride
CID 119853186
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide
CID 61146186
2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
CID 65350383
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
CID 119853176
(2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide
CID 119883865
(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride
CID 119333857
1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea
CID 47202587

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide (CID 61145682) is (2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide is C[C@H](N)C(=O)Nc1cccc(CN(C)C)c1.
What is the InChIKey of (2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide?
The InChIKey is GLKXPMWZPOKZJN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(13)12(16)14-11-6-4-5-10(7-11)8-15(2)3/h4-7,9H,8,13H2,1-3H3,(H,14,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide?
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide has a molecular weight of 221.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide is sourced from PubChem (CID 61145682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).