3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol

C18H29NO — CID 65105347

IUPAC3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CCCCC1c1ccccc1
InChIInChI=1S/C18H29NO/c1-3-18(20,4-2)14-19-17-13-9-8-12-16(17)15-10-6-5-7-11-15/h5-7,10-11,16-17,19-20H,3-4,8-9,12-14H2,1-2H3
InChIKeyNNYBXVBKQQOTOC-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.85
Rot. Bonds6

About 3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol

3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol (PubChem CID 65105347) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol
PubChem CID65105347
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CCCCC1c1ccccc1
InChIInChI=1S/C18H29NO/c1-3-18(20,4-2)14-19-17-13-9-8-12-16(17)15-10-6-5-7-11-15/h5-7,10-11,16-17,19-20H,3-4,8-9,12-14H2,1-2H3
InChIKeyNNYBXVBKQQOTOC-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol
CID 115919440
2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol
CID 106252164
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine
CID 43767796
2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol
CID 65111156
3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol
CID 65108444
4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol
CID 107151533
N,N-diethyl-2-[(2-phenylcyclohexyl)amino]acetamide
CID 115712662
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635
3-[(2-phenylcyclohexyl)amino]propanoic acid
CID 43774837
N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine
CID 43765298

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol (CID 65105347) is 3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNC1CCCCC1c1ccccc1.
What is the InChIKey of 3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol?
The InChIKey is NNYBXVBKQQOTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-18(20,4-2)14-19-17-13-9-8-12-16(17)15-10-6-5-7-11-15/h5-7,10-11,16-17,19-20H,3-4,8-9,12-14H2,1-2H3.
What are the key properties of 3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol?
3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol has a molecular weight of 275.44 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65105347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).