1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol

C17H26BrNO — CID 63490472

IUPAC1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
SMILESCCC1CCC(CNCC(O)c2cccc(Br)c2)CC1
InChIInChI=1S/C17H26BrNO/c1-2-13-6-8-14(9-7-13)11-19-12-17(20)15-4-3-5-16(18)10-15/h3-5,10,13-14,17,19-20H,2,6-9,11-12H2,1H3
InChIKeyWLADMCMWHHSMFQ-UHFFFAOYSA-N
MW340.30 g/mol
LogP4.29
Rot. Bonds6

About 1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol

1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol (PubChem CID 63490472) has the molecular formula C17H26BrNO and a molecular weight of 340.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
PubChem CID63490472
Molecular FormulaC17H26BrNO
Molecular Weight340.30 g/mol
Exact Mass339.12
IUPAC Name1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
SMILESCCC1CCC(CNCC(O)c2cccc(Br)c2)CC1
InChIInChI=1S/C17H26BrNO/c1-2-13-6-8-14(9-7-13)11-19-12-17(20)15-4-3-5-16(18)10-15/h3-5,10,13-14,17,19-20H,2,6-9,11-12H2,1H3
InChIKeyWLADMCMWHHSMFQ-UHFFFAOYSA-N
XLogP4.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine
CID 115875991
2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine
CID 115876148
N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451744
1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol
CID 115578408
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
1-[[[2-(3-bromophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65116445
4-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64911419
N-[2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]cyclopropanecarboxamide
CID 115596586
1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 60971864
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol
CID 110885623
2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901239
1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol
CID 81393437

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol (CID 63490472) is 1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol is CCC1CCC(CNCC(O)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol?
The InChIKey is WLADMCMWHHSMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-2-13-6-8-14(9-7-13)11-19-12-17(20)15-4-3-5-16(18)10-15/h3-5,10,13-14,17,19-20H,2,6-9,11-12H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol?
1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol has a molecular weight of 340.30 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol is sourced from PubChem (CID 63490472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).