4-[3-[(4-bromophenyl)methylamino]butyl]phenol

C17H20BrNO — CID 2845209

IUPAC4-[3-[(4-bromophenyl)methylamino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-13(2-3-14-6-10-17(20)11-7-14)19-12-15-4-8-16(18)9-5-15/h4-11,13,19-20H,2-3,12H2,1H3
InChIKeyVENRHWCVGMCFJY-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.27
Rot. Bonds6

About 4-[3-[(4-bromophenyl)methylamino]butyl]phenol

4-[3-[(4-bromophenyl)methylamino]butyl]phenol (PubChem CID 2845209) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 4-[3-[(4-bromophenyl)methylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(4-bromophenyl)methylamino]butyl]phenol
PubChem CID2845209
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name4-[3-[(4-bromophenyl)methylamino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-13(2-3-14-6-10-17(20)11-7-14)19-12-15-4-8-16(18)9-5-15/h4-11,13,19-20H,2-3,12H2,1H3
InChIKeyVENRHWCVGMCFJY-UHFFFAOYSA-N
XLogP4.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-{[(1-Phenylethyl)amino]methyl}phenol
CID 3669487
2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
CID 16037872
4-[2-(3-Phenyl-propylamino)-propyl]-phenol
CID 192481
4-[(Cyclohexylamino)methyl]phenol
CID 407434
2-[(1-Phenylpropan-2-ylamino)methyl]phenol;hydrochloride
CID 16196867
2-[1-(Benzylamino)ethyl]phenol
CID 2731803
(3-Bromobenzyl)[3-(4-methoxyphenyl)-1-methylpropyl]amine
CID 3830432
Cambridge id 5460400
CID 2846514
Phenol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride
CID 3042571
2,6-Dibromo-4-[(cyclohexylamino)methyl]phenol
CID 240929
4-[2-[(Phenylmethyl)amino]propyl]phenol
CID 410204
4-Bromo-2-((ethylamino)methyl)phenol
CID 22622505

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-bromophenyl)methylamino]butyl]phenol?
The IUPAC name of 4-[3-[(4-bromophenyl)methylamino]butyl]phenol (CID 2845209) is 4-[3-[(4-bromophenyl)methylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[(4-bromophenyl)methylamino]butyl]phenol?
The canonical SMILES for 4-[3-[(4-bromophenyl)methylamino]butyl]phenol is CC(CCc1ccc(O)cc1)NCc1ccc(Br)cc1.
What is the InChIKey of 4-[3-[(4-bromophenyl)methylamino]butyl]phenol?
The InChIKey is VENRHWCVGMCFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-13(2-3-14-6-10-17(20)11-7-14)19-12-15-4-8-16(18)9-5-15/h4-11,13,19-20H,2-3,12H2,1H3.
What are the key properties of 4-[3-[(4-bromophenyl)methylamino]butyl]phenol?
4-[3-[(4-bromophenyl)methylamino]butyl]phenol has a molecular weight of 334.26 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-bromophenyl)methylamino]butyl]phenol is sourced from PubChem (CID 2845209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).