2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol

C18H29NO — CID 82983229

IUPAC2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol
SMILESCCC(c1ccccc1O)N(C)C1CCC(C)(C)CC1
InChIInChI=1S/C18H29NO/c1-5-16(15-8-6-7-9-17(15)20)19(4)14-10-12-18(2,3)13-11-14/h6-9,14,16,20H,5,10-13H2,1-4H3
InChIKeyGQQDPQZGBZQLCL-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.74
Rot. Bonds4

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

2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol (PubChem CID 82983229) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol
PubChem CID82983229
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol
SMILESCCC(c1ccccc1O)N(C)C1CCC(C)(C)CC1
InChIInChI=1S/C18H29NO/c1-5-16(15-8-6-7-9-17(15)20)19(4)14-10-12-18(2,3)13-11-14/h6-9,14,16,20H,5,10-13H2,1-4H3
InChIKeyGQQDPQZGBZQLCL-UHFFFAOYSA-N
XLogP4.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.74
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-[cyclohexyl(methyl)amino]propyl]phenol
CID 82974252
2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol
CID 82975221
(1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103960276
2-[1-[cyclohexyl(ethyl)amino]propyl]phenol
CID 82974115
2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol
CID 82980424
2-[1-(N,4-dimethylanilino)propyl]phenol
CID 82978560
2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol
CID 82982904
2-[1-(cyclopropylamino)propyl]phenol
CID 16772826
1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine
CID 43180386
N-cyclopropyl-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43264757
N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine
CID 62413896
1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine
CID 55022362

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol?
The IUPAC name of 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol (CID 82983229) is 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol.
What is the SMILES notation for 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol?
The canonical SMILES for 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol is CCC(c1ccccc1O)N(C)C1CCC(C)(C)CC1.
What is the InChIKey of 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol?
The InChIKey is GQQDPQZGBZQLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-16(15-8-6-7-9-17(15)20)19(4)14-10-12-18(2,3)13-11-14/h6-9,14,16,20H,5,10-13H2,1-4H3.
What are the key properties of 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol?
2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol has a molecular weight of 275.44 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol is sourced from PubChem (CID 82983229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).