2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol

C15H22ClNO — CID 62980621

IUPAC2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol
SMILESCC(c1cccc(Cl)c1)N(C)C1CCCCC1O
InChIInChI=1S/C15H22ClNO/c1-11(12-6-5-7-13(16)10-12)17(2)14-8-3-4-9-15(14)18/h5-7,10-11,14-15,18H,3-4,8-9H2,1-2H3
InChIKeyHGUGNLQQPNTVAZ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.64
Rot. Bonds3

About 2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol

2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol (PubChem CID 62980621) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol
PubChem CID62980621
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol
SMILESCC(c1cccc(Cl)c1)N(C)C1CCCCC1O
InChIInChI=1S/C15H22ClNO/c1-11(12-6-5-7-13(16)10-12)17(2)14-8-3-4-9-15(14)18/h5-7,10-11,14-15,18H,3-4,8-9H2,1-2H3
InChIKeyHGUGNLQQPNTVAZ-UHFFFAOYSA-N
XLogP3.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-chlorophenyl)ethyl-methylamino]cycloheptane-1-carbonitrile
CID 62977935
2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol
CID 102631632
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80998947
1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine
CID 79467961
N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62979516
3-N-[1-(3-chlorophenyl)ethyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine
CID 62979514
trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 93419082
trans-(1S,2S)-2-[1-(3-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 104956148
1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1-methylurea
CID 47306886
3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea
CID 95706166
N'-[1-(3-chlorophenyl)ethyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 63503142
trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 104954596

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol (CID 62980621) is 2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol is CC(c1cccc(Cl)c1)N(C)C1CCCCC1O.
What is the InChIKey of 2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol?
The InChIKey is HGUGNLQQPNTVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11(12-6-5-7-13(16)10-12)17(2)14-8-3-4-9-15(14)18/h5-7,10-11,14-15,18H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol?
2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol has a molecular weight of 267.80 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 62980621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).