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

C12H19BrN2O — CID 107274980

IUPAC2-[4-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1ccc(CN)c(Br)c1
InChIInChI=1S/C12H19BrN2O/c1-8(2)12(7-16)15-10-4-3-9(6-14)11(13)5-10/h3-5,8,12,15-16H,6-7,14H2,1-2H3
InChIKeyFMNYKCRRGFESGW-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.34
Rot. Bonds5

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

2-[4-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol (PubChem CID 107274980) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol
PubChem CID107274980
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name2-[4-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1ccc(CN)c(Br)c1
InChIInChI=1S/C12H19BrN2O/c1-8(2)12(7-16)15-10-4-3-9(6-14)11(13)5-10/h3-5,8,12,15-16H,6-7,14H2,1-2H3
InChIKeyFMNYKCRRGFESGW-UHFFFAOYSA-N
XLogP2.34
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol
CID 79254725
2-N-(3-bromo-4-fluorophenyl)-3-methylbutane-1,2-diamine
CID 104776446
4-(aminomethyl)-3-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]benzene-1,2-diol
CID 173195859
2-[4-(aminomethyl)-2,3-difluoroanilino]-3-methylbutan-1-ol
CID 114017625
2-[4-(aminomethyl)-3-methylanilino]propan-1-ol
CID 81273349
2-(4-fluoro-3-methylanilino)-3-methylbutan-1-ol
CID 115137256
2-[2-amino-5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]phenyl]acetonitrile
CID 114985453
2-[2-(aminomethyl)-4-chloroanilino]-3-methylbutan-1-ol
CID 79254831
(2S)-2-[2-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol
CID 114986435
(2S)-2-[(2-bromo-4-methylphenyl)methylamino]-3-methylbutan-1-ol
CID 115556816
4-[(1-amino-3-methylbutan-2-yl)amino]-2-bromobenzonitrile
CID 107280757
3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline
CID 63463599

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol?
The IUPAC name of 2-[4-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol (CID 107274980) is 2-[4-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[4-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[4-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol is CC(C)C(CO)Nc1ccc(CN)c(Br)c1.
What is the InChIKey of 2-[4-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol?
The InChIKey is FMNYKCRRGFESGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-8(2)12(7-16)15-10-4-3-9(6-14)11(13)5-10/h3-5,8,12,15-16H,6-7,14H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol?
2-[4-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol has a molecular weight of 287.20 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol is sourced from PubChem (CID 107274980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).