2-[1-[cyclohexyl(methyl)amino]propyl]phenol

C16H25NO — CID 82974252

IUPAC2-[1-[cyclohexyl(methyl)amino]propyl]phenol
SMILESCCC(c1ccccc1O)N(C)C1CCCCC1
InChIInChI=1S/C16H25NO/c1-3-15(14-11-7-8-12-16(14)18)17(2)13-9-5-4-6-10-13/h7-8,11-13,15,18H,3-6,9-10H2,1-2H3
InChIKeyLKMRDEHCXLOXQP-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.11
Rot. Bonds4

About 2-[1-[cyclohexyl(methyl)amino]propyl]phenol

2-[1-[cyclohexyl(methyl)amino]propyl]phenol (PubChem CID 82974252) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[1-[cyclohexyl(methyl)amino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[cyclohexyl(methyl)amino]propyl]phenol
PubChem CID82974252
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[1-[cyclohexyl(methyl)amino]propyl]phenol
SMILESCCC(c1ccccc1O)N(C)C1CCCCC1
InChIInChI=1S/C16H25NO/c1-3-15(14-11-7-8-12-16(14)18)17(2)13-9-5-4-6-10-13/h7-8,11-13,15,18H,3-6,9-10H2,1-2H3
InChIKeyLKMRDEHCXLOXQP-UHFFFAOYSA-N
XLogP4.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol
CID 82983229
2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol
CID 82975221
2-[1-[cyclohexyl(ethyl)amino]propyl]phenol
CID 82974115
N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine
CID 62413896
1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine
CID 43180386
N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine
CID 79983610
N-cyclohexyl-N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 43079199
2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol
CID 82980424
1-[cyclopentyl(methyl)amino]propan-1-ol
CID 175919705
3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide
CID 62779621
4-bromo-2-[1-[cyclohexyl(methyl)amino]ethyl]phenol
CID 82974466
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462

Frequently Asked Questions

What is the IUPAC name of 2-[1-[cyclohexyl(methyl)amino]propyl]phenol?
The IUPAC name of 2-[1-[cyclohexyl(methyl)amino]propyl]phenol (CID 82974252) is 2-[1-[cyclohexyl(methyl)amino]propyl]phenol.
What is the SMILES notation for 2-[1-[cyclohexyl(methyl)amino]propyl]phenol?
The canonical SMILES for 2-[1-[cyclohexyl(methyl)amino]propyl]phenol is CCC(c1ccccc1O)N(C)C1CCCCC1.
What is the InChIKey of 2-[1-[cyclohexyl(methyl)amino]propyl]phenol?
The InChIKey is LKMRDEHCXLOXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-15(14-11-7-8-12-16(14)18)17(2)13-9-5-4-6-10-13/h7-8,11-13,15,18H,3-6,9-10H2,1-2H3.
What are the key properties of 2-[1-[cyclohexyl(methyl)amino]propyl]phenol?
2-[1-[cyclohexyl(methyl)amino]propyl]phenol has a molecular weight of 247.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[cyclohexyl(methyl)amino]propyl]phenol is sourced from PubChem (CID 82974252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).