N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride

C15H24ClNO — CID 6460007

IUPACN-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
SMILESCCOc1ccccc1CNC1CCCCC1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-2-17-15-11-7-6-8-13(15)12-16-14-9-4-3-5-10-14;/h6-8,11,14,16H,2-5,9-10,12H2,1H3;1H
InChIKeyYWOWFISJYDNNFF-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.93
Rot. Bonds5

About N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride

N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride (PubChem CID 6460007) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
PubChem CID6460007
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
SMILESCCOc1ccccc1CNC1CCCCC1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-2-17-15-11-7-6-8-13(15)12-16-14-9-4-3-5-10-14;/h6-8,11,14,16H,2-5,9-10,12H2,1H3;1H
InChIKeyYWOWFISJYDNNFF-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809553
N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 62801536
N-[(2-ethoxyphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472919
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine
CID 62444426
N-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861979
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331493
N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 17054688
N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine
CID 66532386
N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053186
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride (CID 6460007) is N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride is CCOc1ccccc1CNC1CCCCC1.Cl.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride?
The InChIKey is YWOWFISJYDNNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-2-17-15-11-7-6-8-13(15)12-16-14-9-4-3-5-10-14;/h6-8,11,14,16H,2-5,9-10,12H2,1H3;1H.
What are the key properties of N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride?
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride is sourced from PubChem (CID 6460007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).