N-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride

C24H34ClNO — CID 21421948

IUPACN-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride
SMILESCC(Cc1ccccc1)NCCOc1ccc(CC2CCCCC2)cc1.Cl
InChIInChI=1S/C24H33NO.ClH/c1-20(18-21-8-4-2-5-9-21)25-16-17-26-24-14-12-23(13-15-24)19-22-10-6-3-7-11-22;/h2,4-5,8-9,12-15,20,22,25H,3,6-7,10-11,16-19H2,1H3;1H
InChIKeyGFKVBEZUWNKJRP-UHFFFAOYSA-N
MW388.00 g/mol
LogP5.83
Rot. Bonds9

About N-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride

N-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride (PubChem CID 21421948) has the molecular formula C24H34ClNO and a molecular weight of 388.00 g/mol. Its IUPAC name is N-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride
PubChem CID21421948
Molecular FormulaC24H34ClNO
Molecular Weight388.00 g/mol
Exact Mass387.23
IUPAC NameN-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride
SMILESCC(Cc1ccccc1)NCCOc1ccc(CC2CCCCC2)cc1.Cl
InChIInChI=1S/C24H33NO.ClH/c1-20(18-21-8-4-2-5-9-21)25-16-17-26-24-14-12-23(13-15-24)19-22-10-6-3-7-11-22;/h2,4-5,8-9,12-15,20,22,25H,3,6-7,10-11,16-19H2,1H3;1H
InChIKeyGFKVBEZUWNKJRP-UHFFFAOYSA-N
XLogP5.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.00
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-1-phenylpropan-2-amine
CID 63012592
(1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol
CID 76965912
1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one
CID 92938916
N-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine
CID 21421947
N-[3-[4-(cyclooctylmethyl)phenoxy]propyl]acetamide
CID 142221811
N-[2-(3-bromophenoxy)ethyl]-1-phenylpropan-2-amine
CID 63011429
(1R)-1-cyclopentyl-N-(2-phenoxyethyl)ethanamine
CID 81393795
N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride
CID 17207144
N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
CID 62381130
1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine
CID 114829606
4-[2-(2-cyclohexyloxyethylamino)propyl]phenol
CID 115494352
(2R)-N-cyclopentyl-2-(2-phenoxyethylamino)propanamide
CID 94613245

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride?
The IUPAC name of N-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride (CID 21421948) is N-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride?
The canonical SMILES for N-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride is CC(Cc1ccccc1)NCCOc1ccc(CC2CCCCC2)cc1.Cl.
What is the InChIKey of N-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride?
The InChIKey is GFKVBEZUWNKJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO.ClH/c1-20(18-21-8-4-2-5-9-21)25-16-17-26-24-14-12-23(13-15-24)19-22-10-6-3-7-11-22;/h2,4-5,8-9,12-15,20,22,25H,3,6-7,10-11,16-19H2,1H3;1H.
What are the key properties of N-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride?
N-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride has a molecular weight of 388.00 g/mol, XLogP of 5.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride is sourced from PubChem (CID 21421948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).