4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol

C19H29NO — CID 114331396

IUPAC4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol
SMILESOc1ccc(CNC2CCCCC2C2CCCCC2)cc1
InChIInChI=1S/C19H29NO/c21-17-12-10-15(11-13-17)14-20-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h10-13,16,18-21H,1-9,14H2
InChIKeyCGKGYEHKSSAIDI-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.62
Rot. Bonds4

About 4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol

4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol (PubChem CID 114331396) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol
PubChem CID114331396
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol
SMILESOc1ccc(CNC2CCCCC2C2CCCCC2)cc1
InChIInChI=1S/C19H29NO/c21-17-12-10-15(11-13-17)14-20-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h10-13,16,18-21H,1-9,14H2
InChIKeyCGKGYEHKSSAIDI-UHFFFAOYSA-N
XLogP4.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyridin-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
CID 174900275
4-[(cyclopentylamino)methyl]phenol
CID 3873791
4-[[(4-methoxycyclohexyl)amino]methyl]phenol
CID 104530017
4-[[[4-(hydroxymethyl)cyclohexyl]amino]methyl]phenol
CID 112753322
2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
CID 61284102
2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
CID 63830392
2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
CID 60901146
2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 61015493
1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine
CID 51040605
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
4-[2-(cyclooctylamino)ethyl]phenol
CID 61238875
4-[[[(2R)-2-[(3,4-dihydroxyphenyl)methylamino]cyclohexyl]amino]methyl]benzene-1,2-diol
CID 24750954

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol (CID 114331396) is 4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol is Oc1ccc(CNC2CCCCC2C2CCCCC2)cc1.
What is the InChIKey of 4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol?
The InChIKey is CGKGYEHKSSAIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c21-17-12-10-15(11-13-17)14-20-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h10-13,16,18-21H,1-9,14H2.
What are the key properties of 4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol?
4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol has a molecular weight of 287.45 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 114331396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).