1-[[1-(2-bromophenyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol

C17H26BrNO — CID 65116278

IUPAC1-[[1-(2-bromophenyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNC(C)c2ccccc2Br)CC1
InChIInChI=1S/C17H26BrNO/c1-3-14-8-10-17(20,11-9-14)12-19-13(2)15-6-4-5-7-16(15)18/h4-7,13-14,19-20H,3,8-12H2,1-2H3
InChIKeyUNBJPXDUHMEAAM-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.43
Rot. Bonds5

About 1-[[1-(2-bromophenyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol

1-[[1-(2-bromophenyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 65116278) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[[1-(2-bromophenyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[1-(2-bromophenyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID65116278
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name1-[[1-(2-bromophenyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNC(C)c2ccccc2Br)CC1
InChIInChI=1S/C17H26BrNO/c1-3-14-8-10-17(20,11-9-14)12-19-13(2)15-6-4-5-7-16(15)18/h4-7,13-14,19-20H,3,8-12H2,1-2H3
InChIKeyUNBJPXDUHMEAAM-UHFFFAOYSA-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 ≤ 500340.31
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 65116270
4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol
CID 115994404
2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81382987
4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 114146962
N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81383002
4-hydroxy-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 106499600
(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462
1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103914
2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol
CID 63294580
(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81378377
1-(2-bromophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625440
1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol
CID 62772640

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-bromophenyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[1-(2-bromophenyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol (CID 65116278) is 1-[[1-(2-bromophenyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[1-(2-bromophenyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[1-(2-bromophenyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNC(C)c2ccccc2Br)CC1.
What is the InChIKey of 1-[[1-(2-bromophenyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is UNBJPXDUHMEAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-3-14-8-10-17(20,11-9-14)12-19-13(2)15-6-4-5-7-16(15)18/h4-7,13-14,19-20H,3,8-12H2,1-2H3.
What are the key properties of 1-[[1-(2-bromophenyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol?
1-[[1-(2-bromophenyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 340.31 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-[[1-(2-bromophenyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 65116278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).