4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol

C17H27NO — CID 55013566

IUPAC4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol
SMILESCCC(NCC1CCCCC1C)c1ccc(O)cc1
InChIInChI=1S/C17H27NO/c1-3-17(14-8-10-16(19)11-9-14)18-12-15-7-5-4-6-13(15)2/h8-11,13,15,17-19H,3-7,12H2,1-2H3
InChIKeyKZHYRTVMYTVYNT-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.26
Rot. Bonds5

About 4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol

4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol (PubChem CID 55013566) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol
PubChem CID55013566
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol
SMILESCCC(NCC1CCCCC1C)c1ccc(O)cc1
InChIInChI=1S/C17H27NO/c1-3-17(14-8-10-16(19)11-9-14)18-12-15-7-5-4-6-13(15)2/h8-11,13,15,17-19H,3-7,12H2,1-2H3
InChIKeyKZHYRTVMYTVYNT-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(thian-2-ylmethylamino)propyl]phenol
CID 80601142
3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine
CID 63453789
4-[1-[(2-methylcyclopropyl)amino]propyl]phenol
CID 62398897
4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60857322
N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63455907
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 115712953
4-[1-[2-(dimethylamino)propylamino]propyl]phenol
CID 54913241
4-[1-(2,2-dimethoxyethylamino)propyl]phenol
CID 54921747
N-[(2-methylcyclopentyl)methyl]-1-phenylethanamine
CID 107417351
4-[1-[[1-(dimethylamino)cyclopentyl]methylamino]propyl]phenol
CID 83116508
3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785944
3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785864

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol?
The IUPAC name of 4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol (CID 55013566) is 4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol.
What is the SMILES notation for 4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol?
The canonical SMILES for 4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol is CCC(NCC1CCCCC1C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol?
The InChIKey is KZHYRTVMYTVYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-17(14-8-10-16(19)11-9-14)18-12-15-7-5-4-6-13(15)2/h8-11,13,15,17-19H,3-7,12H2,1-2H3.
What are the key properties of 4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol?
4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol has a molecular weight of 261.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol is sourced from PubChem (CID 55013566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).