1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride

C14H22ClNO2 — CID 69471607

IUPAC1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride
SMILESCl.NCC1(O)CCC(OCc2ccccc2)CC1
InChIInChI=1S/C14H21NO2.ClH/c15-11-14(16)8-6-13(7-9-14)17-10-12-4-2-1-3-5-12;/h1-5,13,16H,6-11,15H2;1H
InChIKeyQUFLXVKYTVTOJY-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.26
Rot. Bonds4

About 1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride

1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride (PubChem CID 69471607) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride
PubChem CID69471607
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride
SMILESCl.NCC1(O)CCC(OCc2ccccc2)CC1
InChIInChI=1S/C14H21NO2.ClH/c15-11-14(16)8-6-13(7-9-14)17-10-12-4-2-1-3-5-12;/h1-5,13,16H,6-11,15H2;1H
InChIKeyQUFLXVKYTVTOJY-UHFFFAOYSA-N
XLogP2.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-4-[(2-fluorophenyl)methoxy]cyclohexan-1-ol
CID 58923698
ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
CID 143382520
3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
azane;cyclopentyloxymethylbenzene
CID 69411306
(1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride
CID 121282495
1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol
CID 117038127
1-cyano-4-phenylmethoxycyclohexane-1-carboxylic acid
CID 174811000
4-phenylmethoxyoxane
CID 66554133
(4-ethynylcyclohexyl)oxymethylbenzene
CID 168926601
1-phenyl-3-phenylmethoxycyclobutan-1-ol
CID 135138338
1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine
CID 58380816
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278212

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride (CID 69471607) is 1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride is Cl.NCC1(O)CCC(OCc2ccccc2)CC1.
What is the InChIKey of 1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride?
The InChIKey is QUFLXVKYTVTOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.ClH/c15-11-14(16)8-6-13(7-9-14)17-10-12-4-2-1-3-5-12;/h1-5,13,16H,6-11,15H2;1H.
What are the key properties of 1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride?
1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 69471607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).