4-[2-[(4-propylcyclohexyl)amino]propyl]phenol

C18H29NO — CID 78943354

IUPAC4-[2-[(4-propylcyclohexyl)amino]propyl]phenol
SMILESCCCC1CCC(NC(C)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C18H29NO/c1-3-4-15-5-9-17(10-6-15)19-14(2)13-16-7-11-18(20)12-8-16/h7-8,11-12,14-15,17,19-20H,3-6,9-10,13H2,1-2H3
InChIKeyJHKKVTWLECZHBC-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.27
Rot. Bonds6

About 4-[2-[(4-propylcyclohexyl)amino]propyl]phenol

4-[2-[(4-propylcyclohexyl)amino]propyl]phenol (PubChem CID 78943354) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-[2-[(4-propylcyclohexyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[(4-propylcyclohexyl)amino]propyl]phenol
PubChem CID78943354
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-[2-[(4-propylcyclohexyl)amino]propyl]phenol
SMILESCCCC1CCC(NC(C)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C18H29NO/c1-3-4-15-5-9-17(10-6-15)19-14(2)13-16-7-11-18(20)12-8-16/h7-8,11-12,14-15,17,19-20H,3-6,9-10,13H2,1-2H3
InChIKeyJHKKVTWLECZHBC-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(cyclobutylamino)propyl]phenol
CID 115494316
4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962641
4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol
CID 114122743
4-propyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
CID 43432822
4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol
CID 57234635
4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol
CID 71369040
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopropanamine
CID 82262582
2-[1-[(4-propylcyclohexyl)amino]ethyl]benzene-1,3-diol
CID 107710869
(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol
CID 102610255
N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
CID 43677618
2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide
CID 115494179
4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741782

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-propylcyclohexyl)amino]propyl]phenol?
The IUPAC name of 4-[2-[(4-propylcyclohexyl)amino]propyl]phenol (CID 78943354) is 4-[2-[(4-propylcyclohexyl)amino]propyl]phenol.
What is the SMILES notation for 4-[2-[(4-propylcyclohexyl)amino]propyl]phenol?
The canonical SMILES for 4-[2-[(4-propylcyclohexyl)amino]propyl]phenol is CCCC1CCC(NC(C)Cc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[2-[(4-propylcyclohexyl)amino]propyl]phenol?
The InChIKey is JHKKVTWLECZHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-4-15-5-9-17(10-6-15)19-14(2)13-16-7-11-18(20)12-8-16/h7-8,11-12,14-15,17,19-20H,3-6,9-10,13H2,1-2H3.
What are the key properties of 4-[2-[(4-propylcyclohexyl)amino]propyl]phenol?
4-[2-[(4-propylcyclohexyl)amino]propyl]phenol has a molecular weight of 275.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-propylcyclohexyl)amino]propyl]phenol is sourced from PubChem (CID 78943354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).