2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol

C16H22BrNO — CID 114756149

IUPAC2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNC2CC(c3ccc(Br)cc3)C2)CC1
InChIInChI=1S/C16H22BrNO/c17-14-3-1-12(2-4-14)13-9-15(10-13)18-11-16(5-6-16)7-8-19/h1-4,13,15,18-19H,5-11H2
InChIKeyVSTWWADUJXAOEH-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.45
Rot. Bonds6

About 2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol

2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol (PubChem CID 114756149) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
PubChem CID114756149
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNC2CC(c3ccc(Br)cc3)C2)CC1
InChIInChI=1S/C16H22BrNO/c17-14-3-1-12(2-4-14)13-9-15(10-13)18-11-16(5-6-16)7-8-19/h1-4,13,15,18-19H,5-11H2
InChIKeyVSTWWADUJXAOEH-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol with MolForge

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Related Compounds

N-[(1S,2R)-2-(4-bromophenyl)cyclopropyl]oxan-4-amine
CID 117818253
3-[[[(4-Bromophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol
CID 75471535
4-[1-(4-Bromo-2-fluorophenyl)propan-2-ylamino]-3-phenylbutan-1-ol
CID 91644796
(3S)-4-[[(2S)-1-(4-bromo-2-fluorophenyl)propan-2-yl]amino]-3-phenylbutan-1-ol
CID 99815217
(3S)-4-[[(2R)-1-(4-bromo-2-fluorophenyl)propan-2-yl]amino]-3-phenylbutan-1-ol
CID 99815218
(3R)-4-[[(2S)-1-(4-bromo-2-fluorophenyl)propan-2-yl]amino]-3-phenylbutan-1-ol
CID 99815219
(3R)-4-[[(2R)-1-(4-bromo-2-fluorophenyl)propan-2-yl]amino]-3-phenylbutan-1-ol
CID 99815220
3-[[3-(4-Bromophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol
CID 107167858
4-[1-(4-Bromo-2-fluorophenyl)propan-2-ylamino]-3-methylbutan-1-ol
CID 112329452
[1-[[1-(4-Bromo-2-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]methanol
CID 112330159
2-[1-[[[3-(3-Fluorophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
CID 114750516
2-[1-[[[3-(4-Fluorophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
CID 114750553

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol (CID 114756149) is 2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol is OCCC1(CNC2CC(c3ccc(Br)cc3)C2)CC1.
What is the InChIKey of 2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol?
The InChIKey is VSTWWADUJXAOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c17-14-3-1-12(2-4-14)13-9-15(10-13)18-11-16(5-6-16)7-8-19/h1-4,13,15,18-19H,5-11H2.
What are the key properties of 2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol?
2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol has a molecular weight of 324.26 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114756149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).