[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol

C14H22N2O — CID 107229924

IUPAC[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol
SMILESNC1CCC(NCc2ccc(CO)cc2)CC1
InChIInChI=1S/C14H22N2O/c15-13-5-7-14(8-6-13)16-9-11-1-3-12(10-17)4-2-11/h1-4,13-14,16-17H,5-10,15H2
InChIKeyUSESHOBVBWSVKL-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.54
Rot. Bonds4

About [4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol

[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol (PubChem CID 107229924) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol
PubChem CID107229924
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol
SMILESNC1CCC(NCc2ccc(CO)cc2)CC1
InChIInChI=1S/C14H22N2O/c15-13-5-7-14(8-6-13)16-9-11-1-3-12(10-17)4-2-11/h1-4,13-14,16-17H,5-10,15H2
InChIKeyUSESHOBVBWSVKL-UHFFFAOYSA-N
XLogP1.54
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Mk-1496
CID 67313626
alpha-((Cyclohexylamino)methyl)benzenemethanol
CID 23064
H 29-50
CID 192962
2-(Benzylamino)-1-phenylethanol
CID 229746
[4-(Aminomethyl)phenyl]methanol
CID 6496943
2-[(4-Ethylphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6459920
1-Phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride
CID 6464095
2-(Benzylamino)-1,2-diphenylethanol
CID 222507
H 35-25
CID 166842
N-methyl-1,2-diphenylethanolamine
CID 99708
2-(Benzylamino)-2-phenylethan-1-ol
CID 234875
(+)-cis-2-Benzylaminocyclohexanemethanol
CID 853687

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol (CID 107229924) is [4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol is NC1CCC(NCc2ccc(CO)cc2)CC1.
What is the InChIKey of [4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol?
The InChIKey is USESHOBVBWSVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-13-5-7-14(8-6-13)16-9-11-1-3-12(10-17)4-2-11/h1-4,13-14,16-17H,5-10,15H2.
What are the key properties of [4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol?
[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107229924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).