1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol

C17H26BrNO — CID 81393437

IUPAC1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol
SMILESC[C@@H](NCC(O)c1cccc(Br)c1)C1CCCCCC1
InChIInChI=1S/C17H26BrNO/c1-13(14-7-4-2-3-5-8-14)19-12-17(20)15-9-6-10-16(18)11-15/h6,9-11,13-14,17,19-20H,2-5,7-8,12H2,1H3/t13-,17?/m1/s1
InChIKeyKGWOXAAPMNCYJW-FWJOYPJLSA-N
MW340.30 g/mol
LogP4.43
Rot. Bonds5

About 1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol

1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol (PubChem CID 81393437) has the molecular formula C17H26BrNO and a molecular weight of 340.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol
PubChem CID81393437
Molecular FormulaC17H26BrNO
Molecular Weight340.30 g/mol
Exact Mass339.12
IUPAC Name1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol
SMILESC[C@@H](NCC(O)c1cccc(Br)c1)C1CCCCCC1
InChIInChI=1S/C17H26BrNO/c1-13(14-7-4-2-3-5-8-14)19-12-17(20)15-9-6-10-16(18)11-15/h6,9-11,13-14,17,19-20H,2-5,7-8,12H2,1H3/t13-,17?/m1/s1
InChIKeyKGWOXAAPMNCYJW-FWJOYPJLSA-N
XLogP4.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
2-[[(1R)-1-cyclopentylethyl]amino]-1-(3-fluorophenyl)ethanol
CID 81396373
2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol
CID 115894712
2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol
CID 81390203
2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113
(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81387900
2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 111755622
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol
CID 81396302
1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
CID 60734196
2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 113260051

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol (CID 81393437) is 1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol is C[C@@H](NCC(O)c1cccc(Br)c1)C1CCCCCC1.
What is the InChIKey of 1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol?
The InChIKey is KGWOXAAPMNCYJW-FWJOYPJLSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-13(14-7-4-2-3-5-8-14)19-12-17(20)15-9-6-10-16(18)11-15/h6,9-11,13-14,17,19-20H,2-5,7-8,12H2,1H3/t13-,17?/m1/s1.
What are the key properties of 1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol?
1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol has a molecular weight of 340.30 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol is sourced from PubChem (CID 81393437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).