2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide

C14H22N2O2 — CID 107218396

IUPAC2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)NCc1cccc(CO)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(7-15)14(18)16-8-11-4-3-5-12(6-11)9-17/h3-6,10,13,17H,7-9,15H2,1-2H3,(H,16,18)
InChIKeySTSKMVUXCLGOJY-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.03
Rot. Bonds6

About 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide

2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide (PubChem CID 107218396) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
PubChem CID107218396
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)NCc1cccc(CO)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(7-15)14(18)16-8-11-4-3-5-12(6-11)9-17/h3-6,10,13,17H,7-9,15H2,1-2H3,(H,16,18)
InChIKeySTSKMVUXCLGOJY-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide
CID 65229324
2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide
CID 103810421
2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 55205235
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
4-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzoic acid
CID 65227428
N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide
CID 115532885
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide
CID 107093408
4-amino-5-[[3-(hydroxymethyl)phenyl]methylamino]-5-oxopentanoic acid
CID 107218367
N-(2-aminoethyl)-N'-[[3-(hydroxymethyl)phenyl]methyl]oxamide
CID 107211780
2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide
CID 65229042
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride
CID 119775484
(2S)-2-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide;dihydrochloride
CID 119842529

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide (CID 107218396) is 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide is CC(C)C(CN)C(=O)NCc1cccc(CO)c1.
What is the InChIKey of 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide?
The InChIKey is STSKMVUXCLGOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)13(7-15)14(18)16-8-11-4-3-5-12(6-11)9-17/h3-6,10,13,17H,7-9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide?
2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide is sourced from PubChem (CID 107218396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).