[4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid

C13H20N2O2 — CID 174694781

IUPAC[4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid
SMILESCC(C)(CCc1ccc(CN)cc1)NC(=O)O
InChIInChI=1S/C13H20N2O2/c1-13(2,15-12(16)17)8-7-10-3-5-11(9-14)6-4-10/h3-6,15H,7-9,14H2,1-2H3,(H,16,17)
InChIKeyOHFDMXFYWVHPKF-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.12
Rot. Bonds5

About [4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid

[4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid (PubChem CID 174694781) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid
PubChem CID174694781
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid
SMILESCC(C)(CCc1ccc(CN)cc1)NC(=O)O
InChIInChI=1S/C13H20N2O2/c1-13(2,15-12(16)17)8-7-10-3-5-11(9-14)6-4-10/h3-6,15H,7-9,14H2,1-2H3,(H,16,17)
InChIKeyOHFDMXFYWVHPKF-UHFFFAOYSA-N
XLogP2.12
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride
CID 118419337
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115734086
(2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 103832792
[1-[5-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]carbamic acid
CID 174625985
(2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide
CID 104863039
[(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid
CID 68992190
(4-tert-butylphenyl)methanamine;oxalic acid
CID 146079454
2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid
CID 138583978
2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide
CID 94692059
(2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104909056
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide
CID 115606453

Frequently Asked Questions

What is the IUPAC name of [4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid?
The IUPAC name of [4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid (CID 174694781) is [4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid.
What is the SMILES notation for [4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid?
The canonical SMILES for [4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid is CC(C)(CCc1ccc(CN)cc1)NC(=O)O.
What is the InChIKey of [4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid?
The InChIKey is OHFDMXFYWVHPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,15-12(16)17)8-7-10-3-5-11(9-14)6-4-10/h3-6,15H,7-9,14H2,1-2H3,(H,16,17).
What are the key properties of [4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid?
[4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid has a molecular weight of 236.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid is sourced from PubChem (CID 174694781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).