2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol

C12H18BrNO — CID 115250747

IUPAC2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol
SMILESCCC(CO)CNCc1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-2-10(9-15)7-14-8-11-3-5-12(13)6-4-11/h3-6,10,14-15H,2,7-9H2,1H3
InChIKeyLVSCGGDFRWLELQ-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.56
Rot. Bonds6

About 2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol

2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol (PubChem CID 115250747) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol
PubChem CID115250747
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol
SMILESCCC(CO)CNCc1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-2-10(9-15)7-14-8-11-3-5-12(13)6-4-11/h3-6,10,14-15H,2,7-9H2,1H3
InChIKeyLVSCGGDFRWLELQ-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol
CID 115250761
3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
CID 111470613
2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol
CID 115250742
2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol
CID 115251147
2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol
CID 115250860
2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol
CID 115250760
3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol
CID 113328387
2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63522949
2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294481
2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide
CID 54957107
2-[(4-bromophenyl)methylamino]ethanol;hydrochloride
CID 2950588
2-[4-[(2-ethylbutylamino)methyl]phenyl]propanoic acid
CID 103267076

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol?
The IUPAC name of 2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol (CID 115250747) is 2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol is CCC(CO)CNCc1ccc(Br)cc1.
What is the InChIKey of 2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol?
The InChIKey is LVSCGGDFRWLELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-2-10(9-15)7-14-8-11-3-5-12(13)6-4-11/h3-6,10,14-15H,2,7-9H2,1H3.
What are the key properties of 2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol?
2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol has a molecular weight of 272.19 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol is sourced from PubChem (CID 115250747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).