4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol

C17H27NO — CID 116957004

IUPAC4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol
SMILESCCCc1ccc(C(NC)C2CCC(O)CC2)cc1
InChIInChI=1S/C17H27NO/c1-3-4-13-5-7-14(8-6-13)17(18-2)15-9-11-16(19)12-10-15/h5-8,15-19H,3-4,9-12H2,1-2H3
InChIKeyHYCOBUHFDFBJHG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.45
Rot. Bonds5

About 4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol

4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol (PubChem CID 116957004) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol
PubChem CID116957004
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol
SMILESCCCc1ccc(C(NC)C2CCC(O)CC2)cc1
InChIInChI=1S/C17H27NO/c1-3-4-13-5-7-14(8-6-13)17(18-2)15-9-11-16(19)12-10-15/h5-8,15-19H,3-4,9-12H2,1-2H3
InChIKeyHYCOBUHFDFBJHG-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-propylcyclohexyl)-1-(4-propylphenyl)methanamine
CID 65424733
N-[cyclopropyl-(4-propylphenyl)methyl]ethanamine
CID 43491617
1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018164
N-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine
CID 114825017
1-cyclopropyl-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 43482389
1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484724
N-[(4,4-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
CID 65390054
2-cyclopentyl-N-methyl-1-(4-propylphenyl)ethanamine
CID 60771358
4-[1,3-benzodioxol-5-yl(methylamino)methyl]cyclohexan-1-ol
CID 116957005
[(4-propylphenyl)-(thiolan-3-yl)methyl]hydrazine
CID 105303906
N-[cyclopropyl-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 43489767
1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65425698

Frequently Asked Questions

What is the IUPAC name of 4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol (CID 116957004) is 4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol is CCCc1ccc(C(NC)C2CCC(O)CC2)cc1.
What is the InChIKey of 4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol?
The InChIKey is HYCOBUHFDFBJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-4-13-5-7-14(8-6-13)17(18-2)15-9-11-16(19)12-10-15/h5-8,15-19H,3-4,9-12H2,1-2H3.
What are the key properties of 4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol?
4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 116957004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).