2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol

C13H18BrNO — CID 63294580

IUPAC2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol
SMILESCC(NCC(O)C1CC1)c1ccccc1Br
InChIInChI=1S/C13H18BrNO/c1-9(11-4-2-3-5-12(11)14)15-8-13(16)10-6-7-10/h2-5,9-10,13,15-16H,6-8H2,1H3
InChIKeyDLJXDEUQJPWAPB-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.87
Rot. Bonds5

About 2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol

2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol (PubChem CID 63294580) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol
PubChem CID63294580
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol
SMILESCC(NCC(O)C1CC1)c1ccccc1Br
InChIInChI=1S/C13H18BrNO/c1-9(11-4-2-3-5-12(11)14)15-8-13(16)10-6-7-10/h2-5,9-10,13,15-16H,6-8H2,1H3
InChIKeyDLJXDEUQJPWAPB-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol
CID 63294313
3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol
CID 103787908
1-(2-bromophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625440
1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81383910
N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine
CID 43223398
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine
CID 81383492
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 81383862
3-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-methylpropanoic acid
CID 81383114
1-cyclopropyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 63294348
4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 114146962
(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462
1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol
CID 63294934

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol?
The IUPAC name of 2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol (CID 63294580) is 2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol?
The canonical SMILES for 2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol is CC(NCC(O)C1CC1)c1ccccc1Br.
What is the InChIKey of 2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol?
The InChIKey is DLJXDEUQJPWAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(11-4-2-3-5-12(11)14)15-8-13(16)10-6-7-10/h2-5,9-10,13,15-16H,6-8H2,1H3.
What are the key properties of 2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol?
2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol has a molecular weight of 284.20 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol is sourced from PubChem (CID 63294580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).