3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol

C18H29NO — CID 103785864

IUPAC3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCc1ccc(C(CC)NCC2CCCC(O)C2)cc1
InChIInChI=1S/C18H29NO/c1-3-14-8-10-16(11-9-14)18(4-2)19-13-15-6-5-7-17(20)12-15/h8-11,15,17-20H,3-7,12-13H2,1-2H3
InChIKeyPCLQRGUTWUWNBJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.84
Rot. Bonds6

About 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol

3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol (PubChem CID 103785864) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol
PubChem CID103785864
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCc1ccc(C(CC)NCC2CCCC(O)C2)cc1
InChIInChI=1S/C18H29NO/c1-3-14-8-10-16(11-9-14)18(4-2)19-13-15-6-5-7-17(20)12-15/h8-11,15,17-20H,3-7,12-13H2,1-2H3
InChIKeyPCLQRGUTWUWNBJ-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol
CID 103271372
3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785944
3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785906
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine
CID 63477593
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504017
1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43309993
3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785848
1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine
CID 55013993
3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785946
4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol
CID 104862000
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785860

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol (CID 103785864) is 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol is CCc1ccc(C(CC)NCC2CCCC(O)C2)cc1.
What is the InChIKey of 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol?
The InChIKey is PCLQRGUTWUWNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-14-8-10-16(11-9-14)18(4-2)19-13-15-6-5-7-17(20)12-15/h8-11,15,17-20H,3-7,12-13H2,1-2H3.
What are the key properties of 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol?
3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103785864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).