N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride

C16H25Cl2NO — CID 17158351

IUPACN-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride
SMILESCCOc1ccc(CNC2CCCCCC2)cc1Cl.Cl
InChIInChI=1S/C16H24ClNO.ClH/c1-2-19-16-10-9-13(11-15(16)17)12-18-14-7-5-3-4-6-8-14;/h9-11,14,18H,2-8,12H2,1H3;1H
InChIKeyUBPSHWSYGIKHHE-UHFFFAOYSA-N
MW318.29 g/mol
LogP4.97
Rot. Bonds5

About N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride

N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride (PubChem CID 17158351) has the molecular formula C16H25Cl2NO and a molecular weight of 318.29 g/mol. Its IUPAC name is N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride
PubChem CID17158351
Molecular FormulaC16H25Cl2NO
Molecular Weight318.29 g/mol
Exact Mass317.13
IUPAC NameN-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride
SMILESCCOc1ccc(CNC2CCCCCC2)cc1Cl.Cl
InChIInChI=1S/C16H24ClNO.ClH/c1-2-19-16-10-9-13(11-15(16)17)12-18-14-7-5-3-4-6-8-14;/h9-11,14,18H,2-8,12H2,1H3;1H
InChIKeyUBPSHWSYGIKHHE-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17295895
N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine
CID 65176295
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine
CID 4717339
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-ethoxyphenyl]methyl]cyclooctanamine;dihydrochloride
CID 17055896
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]cyclohexanamine
CID 4721498
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine;hydrochloride
CID 17289730
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331560
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 2962391
N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
CID 21435425
N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine
CID 66532386

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride?
The IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride (CID 17158351) is N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride.
What is the SMILES notation for N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride?
The canonical SMILES for N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride is CCOc1ccc(CNC2CCCCCC2)cc1Cl.Cl.
What is the InChIKey of N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride?
The InChIKey is UBPSHWSYGIKHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO.ClH/c1-2-19-16-10-9-13(11-15(16)17)12-18-14-7-5-3-4-6-8-14;/h9-11,14,18H,2-8,12H2,1H3;1H.
What are the key properties of N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride?
N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride has a molecular weight of 318.29 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride is sourced from PubChem (CID 17158351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).