4-[2-[2-(3-methylcyclohexyl)ethylamino]propyl]phenol

C18H29NO — CID 115494364

IUPAC4-[2-[2-(3-methylcyclohexyl)ethylamino]propyl]phenol
SMILESCC1CCCC(CCNC(C)Cc2ccc(O)cc2)C1
InChIInChI=1S/C18H29NO/c1-14-4-3-5-16(12-14)10-11-19-15(2)13-17-6-8-18(20)9-7-17/h6-9,14-16,19-20H,3-5,10-13H2,1-2H3
InChIKeyIVUPPALFFNVZEC-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.13
Rot. Bonds6

About 4-[2-[2-(3-methylcyclohexyl)ethylamino]propyl]phenol

4-[2-[2-(3-methylcyclohexyl)ethylamino]propyl]phenol (PubChem CID 115494364) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-[2-[2-(3-methylcyclohexyl)ethylamino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[2-(3-methylcyclohexyl)ethylamino]propyl]phenol
PubChem CID115494364
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-[2-[2-(3-methylcyclohexyl)ethylamino]propyl]phenol
SMILESCC1CCCC(CCNC(C)Cc2ccc(O)cc2)C1
InChIInChI=1S/C18H29NO/c1-14-4-3-5-16(12-14)10-11-19-15(2)13-17-6-8-18(20)9-7-17/h6-9,14-16,19-20H,3-5,10-13H2,1-2H3
InChIKeyIVUPPALFFNVZEC-UHFFFAOYSA-N
XLogP4.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(2-hydroxycyclopentyl)methylamino]propyl]phenol
CID 113322903
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316
4-[2-(2-cyclohexyloxyethylamino)propyl]phenol
CID 115494352
4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine
CID 102869604
N-(2-cyclopropylethyl)-1-pyridin-4-ylpropan-2-amine
CID 115892089
4-[1-(2-cyclopentylethylamino)ethyl]phenol
CID 54932146
4-[3-[(3-methylcyclohexyl)amino]butyl]phenol
CID 43317708
N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757829
4-[2-(3-fluoropropylamino)propyl]phenol
CID 110174731
4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol
CID 115493853
4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol
CID 113478638

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3-methylcyclohexyl)ethylamino]propyl]phenol?
The IUPAC name of 4-[2-[2-(3-methylcyclohexyl)ethylamino]propyl]phenol (CID 115494364) is 4-[2-[2-(3-methylcyclohexyl)ethylamino]propyl]phenol.
What is the SMILES notation for 4-[2-[2-(3-methylcyclohexyl)ethylamino]propyl]phenol?
The canonical SMILES for 4-[2-[2-(3-methylcyclohexyl)ethylamino]propyl]phenol is CC1CCCC(CCNC(C)Cc2ccc(O)cc2)C1.
What is the InChIKey of 4-[2-[2-(3-methylcyclohexyl)ethylamino]propyl]phenol?
The InChIKey is IVUPPALFFNVZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14-4-3-5-16(12-14)10-11-19-15(2)13-17-6-8-18(20)9-7-17/h6-9,14-16,19-20H,3-5,10-13H2,1-2H3.
What are the key properties of 4-[2-[2-(3-methylcyclohexyl)ethylamino]propyl]phenol?
4-[2-[2-(3-methylcyclohexyl)ethylamino]propyl]phenol has a molecular weight of 275.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3-methylcyclohexyl)ethylamino]propyl]phenol is sourced from PubChem (CID 115494364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).