4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol

C17H27NO — CID 82985701

IUPAC4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol
SMILESCC1CCCCC1N(C)C(C)Cc1ccc(O)cc1
InChIInChI=1S/C17H27NO/c1-13-6-4-5-7-17(13)18(3)14(2)12-15-8-10-16(19)11-9-15/h8-11,13-14,17,19H,4-7,12H2,1-3H3
InChIKeyDCNMWHFXYUFWJL-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.83
Rot. Bonds4

About 4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol

4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol (PubChem CID 82985701) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol
PubChem CID82985701
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol
SMILESCC1CCCCC1N(C)C(C)Cc1ccc(O)cc1
InChIInChI=1S/C17H27NO/c1-13-6-4-5-7-17(13)18(3)14(2)12-15-8-10-16(19)11-9-15/h8-11,13-14,17,19H,4-7,12H2,1-3H3
InChIKeyDCNMWHFXYUFWJL-UHFFFAOYSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol
CID 82986499
4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol
CID 115496116
2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol
CID 107711831
4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol
CID 106622859
1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea
CID 71886576
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316
2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 174492426
4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol
CID 106622418
4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol
CID 115496134
4-[2-(cyclopentylmethyl)butyl]phenol
CID 57064964
N-methyl-N-(2-methylcyclohexyl)-5-(2-methylpropyl)pyridin-2-amine
CID 178141279
4-[2-[bis(2-methylpropyl)amino]propyl]phenol
CID 82981802

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol?
The IUPAC name of 4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol (CID 82985701) is 4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol.
What is the SMILES notation for 4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol?
The canonical SMILES for 4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol is CC1CCCCC1N(C)C(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol?
The InChIKey is DCNMWHFXYUFWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-6-4-5-7-17(13)18(3)14(2)12-15-8-10-16(19)11-9-15/h8-11,13-14,17,19H,4-7,12H2,1-3H3.
What are the key properties of 4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol?
4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol has a molecular weight of 261.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol is sourced from PubChem (CID 82985701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).