4-[4-(aminomethyl)phenyl]-2-methylbutanamide

C12H18N2O — CID 175316753

IUPAC4-[4-(aminomethyl)phenyl]-2-methylbutanamide
SMILESCC(CCc1ccc(CN)cc1)C(N)=O
InChIInChI=1S/C12H18N2O/c1-9(12(14)15)2-3-10-4-6-11(8-13)7-5-10/h4-7,9H,2-3,8,13H2,1H3,(H2,14,15)
InChIKeyVLSSIBKUMGRTLX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.20
Rot. Bonds5

About 4-[4-(aminomethyl)phenyl]-2-methylbutanamide

4-[4-(aminomethyl)phenyl]-2-methylbutanamide (PubChem CID 175316753) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenyl]-2-methylbutanamide.

Molecular Properties

Compound Name4-[4-(aminomethyl)phenyl]-2-methylbutanamide
PubChem CID175316753
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-[4-(aminomethyl)phenyl]-2-methylbutanamide
SMILESCC(CCc1ccc(CN)cc1)C(N)=O
InChIInChI=1S/C12H18N2O/c1-9(12(14)15)2-3-10-4-6-11(8-13)7-5-10/h4-7,9H,2-3,8,13H2,1H3,(H2,14,15)
InChIKeyVLSSIBKUMGRTLX-UHFFFAOYSA-N
XLogP1.20
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472
(2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide
CID 157198688
3-[4-(aminomethyl)phenoxy]-2-methylpropanamide
CID 43311802
(2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide
CID 163564541
4-phenyl-2-(propan-2-ylamino)butanamide
CID 62881281
ethyl acetate;2-methyl-4-[4-(10,10,10-trifluorodecyl)phenyl]butanamide
CID 161362380
(3S)-1-[[4-(aminomethyl)phenyl]methoxy]-3-methyl-5-phenylpentan-2-one;formic acid
CID 157247100
(2S)-4-amino-2-methylbutanamide
CID 87412339
3-[4-(aminomethyl)phenyl]-2-methylpropanoic acid;hydrochloride
CID 139945600
ethane;(2S)-2-(methylamino)-4-phenylbutanamide
CID 142110580
(2R)-2-[[4-(aminomethyl)phenyl]methylamino]-N-methoxy-4-phenylbutanamide
CID 88984760
2-methyl-4-phenylbutanoic acid
CID 66896591

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)phenyl]-2-methylbutanamide?
The IUPAC name of 4-[4-(aminomethyl)phenyl]-2-methylbutanamide (CID 175316753) is 4-[4-(aminomethyl)phenyl]-2-methylbutanamide.
What is the SMILES notation for 4-[4-(aminomethyl)phenyl]-2-methylbutanamide?
The canonical SMILES for 4-[4-(aminomethyl)phenyl]-2-methylbutanamide is CC(CCc1ccc(CN)cc1)C(N)=O.
What is the InChIKey of 4-[4-(aminomethyl)phenyl]-2-methylbutanamide?
The InChIKey is VLSSIBKUMGRTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(12(14)15)2-3-10-4-6-11(8-13)7-5-10/h4-7,9H,2-3,8,13H2,1H3,(H2,14,15).
What are the key properties of 4-[4-(aminomethyl)phenyl]-2-methylbutanamide?
4-[4-(aminomethyl)phenyl]-2-methylbutanamide has a molecular weight of 206.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenyl]-2-methylbutanamide is sourced from PubChem (CID 175316753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).