(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide

C12H19N3O — CID 61146186

IUPAC(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccc(CN(C)C)cc1
InChIInChI=1S/C12H19N3O/c1-9(13)12(16)14-11-6-4-10(5-7-11)8-15(2)3/h4-7,9H,8,13H2,1-3H3,(H,14,16)/t9-/m0/s1
InChIKeyRSMVYKSRMNYPGO-VIFPVBQESA-N
MW221.30 g/mol
LogP1.03
Rot. Bonds4

About (2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide

(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide (PubChem CID 61146186) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide
PubChem CID61146186
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccc(CN(C)C)cc1
InChIInChI=1S/C12H19N3O/c1-9(13)12(16)14-11-6-4-10(5-7-11)8-15(2)3/h4-7,9H,8,13H2,1-3H3,(H,14,16)/t9-/m0/s1
InChIKeyRSMVYKSRMNYPGO-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

(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]butanamide
CID 79024584
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide
CID 103691721
2-amino-N-(4-propylphenyl)propanamide
CID 43378686
(2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride
CID 119328523
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide
CID 83624402
(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen
CID 142530006
2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide
CID 107471403
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
(2R)-2-amino-N-(4-hydroxyphenyl)propanamide
CID 78972563
2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide
CID 43700671
2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
CID 61265996

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide (CID 61146186) is (2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide is C[C@H](N)C(=O)Nc1ccc(CN(C)C)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide?
The InChIKey is RSMVYKSRMNYPGO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(13)12(16)14-11-6-4-10(5-7-11)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-[4-[(dimethylamino)methyl]phenyl]propanamide?
(2S)-2-amino-N-[4-[(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-[4-[(dimethylamino)methyl]phenyl]propanamide is sourced from PubChem (CID 61146186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).