[4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol

C14H20BrNO — CID 61445229

IUPAC[4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol
SMILESCCCCN(c1cc(Br)ccc1CO)C1CC1
InChIInChI=1S/C14H20BrNO/c1-2-3-8-16(13-6-7-13)14-9-12(15)5-4-11(14)10-17/h4-5,9,13,17H,2-3,6-8,10H2,1H3
InChIKeyLXTVQPSIXQBEPI-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.71
Rot. Bonds6

About [4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol

[4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol (PubChem CID 61445229) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is [4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol
PubChem CID61445229
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name[4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol
SMILESCCCCN(c1cc(Br)ccc1CO)C1CC1
InChIInChI=1S/C14H20BrNO/c1-2-3-8-16(13-6-7-13)14-9-12(15)5-4-11(14)10-17/h4-5,9,13,17H,2-3,6-8,10H2,1H3
InChIKeyLXTVQPSIXQBEPI-UHFFFAOYSA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline
CID 63550990
5-bromo-2-(chloromethyl)-N-cyclopropyl-N-propylaniline
CID 43270621
3-[5-bromo-N-cyclobutyl-2-(propylaminomethyl)anilino]propan-1-ol
CID 102864710
2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol
CID 54994722
2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline
CID 63784972
2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol
CID 102864917
2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline
CID 43264393
[2-[butyl(cyclopropyl)amino]-3-pyridinyl]methanol
CID 61445710
[4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol
CID 63375838
[4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol
CID 43569351
1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol
CID 62909882
3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol
CID 102863395

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol?
The IUPAC name of [4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol (CID 61445229) is [4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol.
What is the SMILES notation for [4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol?
The canonical SMILES for [4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol is CCCCN(c1cc(Br)ccc1CO)C1CC1.
What is the InChIKey of [4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol?
The InChIKey is LXTVQPSIXQBEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-3-8-16(13-6-7-13)14-9-12(15)5-4-11(14)10-17/h4-5,9,13,17H,2-3,6-8,10H2,1H3.
What are the key properties of [4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol?
[4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol has a molecular weight of 298.22 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol is sourced from PubChem (CID 61445229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).