2-[2-(aminomethyl)-4-chloroanilino]-3-methylbutan-1-ol

C12H19ClN2O — CID 79254831

IUPAC2-[2-(aminomethyl)-4-chloroanilino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1ccc(Cl)cc1CN
InChIInChI=1S/C12H19ClN2O/c1-8(2)12(7-16)15-11-4-3-10(13)5-9(11)6-14/h3-5,8,12,15-16H,6-7,14H2,1-2H3
InChIKeyWEPARRVMGPNCFZ-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.23
Rot. Bonds5

About 2-[2-(aminomethyl)-4-chloroanilino]-3-methylbutan-1-ol

2-[2-(aminomethyl)-4-chloroanilino]-3-methylbutan-1-ol (PubChem CID 79254831) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-chloroanilino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-chloroanilino]-3-methylbutan-1-ol
PubChem CID79254831
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2-[2-(aminomethyl)-4-chloroanilino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1ccc(Cl)cc1CN
InChIInChI=1S/C12H19ClN2O/c1-8(2)12(7-16)15-11-4-3-10(13)5-9(11)6-14/h3-5,8,12,15-16H,6-7,14H2,1-2H3
InChIKeyWEPARRVMGPNCFZ-UHFFFAOYSA-N
XLogP2.23
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2,3-difluoroanilino]-3-methylbutan-1-ol
CID 114017625
(2S)-2-(4-amino-2-chloroanilino)-3-methylbutan-1-ol
CID 79248045
2-N-(5-chloro-2-fluorophenyl)-3-methylbutane-1,2-diamine
CID 115137933
2-(2-chloro-4-methoxyanilino)-3-methylbutan-1-ol
CID 115137311
2-[4-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol
CID 107274980
(2S)-2-[2-(aminomethyl)-3-fluoroanilino]-3-methylbutan-1-ol
CID 79517811
N-[2-(aminomethyl)-4-chlorophenyl]propanamide
CID 66877518
3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]benzoic acid
CID 79245827
3-chloro-4-[(1-hydroxy-3-methylbutan-2-yl)amino]benzoic acid
CID 79245289
4-(aminomethyl)-3-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]benzene-1,2-diol
CID 173195859
3-[2-(aminomethyl)-4-chlorophenyl]sulfanyl-2-methylpropan-1-ol
CID 114864970
2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol
CID 79254725

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-chloroanilino]-3-methylbutan-1-ol?
The IUPAC name of 2-[2-(aminomethyl)-4-chloroanilino]-3-methylbutan-1-ol (CID 79254831) is 2-[2-(aminomethyl)-4-chloroanilino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[2-(aminomethyl)-4-chloroanilino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[2-(aminomethyl)-4-chloroanilino]-3-methylbutan-1-ol is CC(C)C(CO)Nc1ccc(Cl)cc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-chloroanilino]-3-methylbutan-1-ol?
The InChIKey is WEPARRVMGPNCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-8(2)12(7-16)15-11-4-3-10(13)5-9(11)6-14/h3-5,8,12,15-16H,6-7,14H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-4-chloroanilino]-3-methylbutan-1-ol?
2-[2-(aminomethyl)-4-chloroanilino]-3-methylbutan-1-ol has a molecular weight of 242.75 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-chloroanilino]-3-methylbutan-1-ol is sourced from PubChem (CID 79254831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).