N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride

C22H29Cl2NO2 — CID 17294662

IUPACN-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
SMILESCOc1cc(CNC2CCCCCC2)ccc1OCc1ccccc1Cl.Cl
InChIInChI=1S/C22H28ClNO2.ClH/c1-25-22-14-17(15-24-19-9-4-2-3-5-10-19)12-13-21(22)26-16-18-8-6-7-11-20(18)23;/h6-8,11-14,19,24H,2-5,9-10,15-16H2,1H3;1H
InChIKeyRKRXVOQUQGZUOJ-UHFFFAOYSA-N
MW410.39 g/mol
LogP6.16
Rot. Bonds7

About N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride

N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride (PubChem CID 17294662) has the molecular formula C22H29Cl2NO2 and a molecular weight of 410.39 g/mol. Its IUPAC name is N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
PubChem CID17294662
Molecular FormulaC22H29Cl2NO2
Molecular Weight410.39 g/mol
Exact Mass409.16
IUPAC NameN-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
SMILESCOc1cc(CNC2CCCCCC2)ccc1OCc1ccccc1Cl.Cl
InChIInChI=1S/C22H28ClNO2.ClH/c1-25-22-14-17(15-24-19-9-4-2-3-5-10-19)12-13-21(22)26-16-18-8-6-7-11-20(18)23;/h6-8,11-14,19,24H,2-5,9-10,15-16H2,1H3;1H
InChIKeyRKRXVOQUQGZUOJ-UHFFFAOYSA-N
XLogP6.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.39
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17294388
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 17293728
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 4720875
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294671
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294391
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclohexanamine
CID 4722533
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 4720191
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
CID 4719319
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294375
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopentanamine
CID 66534455
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopropanamine
CID 66529595
N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
CID 21435425

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride?
The IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride (CID 17294662) is N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride.
What is the SMILES notation for N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride?
The canonical SMILES for N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride is COc1cc(CNC2CCCCCC2)ccc1OCc1ccccc1Cl.Cl.
What is the InChIKey of N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride?
The InChIKey is RKRXVOQUQGZUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO2.ClH/c1-25-22-14-17(15-24-19-9-4-2-3-5-10-19)12-13-21(22)26-16-18-8-6-7-11-20(18)23;/h6-8,11-14,19,24H,2-5,9-10,15-16H2,1H3;1H.
What are the key properties of N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride?
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride has a molecular weight of 410.39 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride is sourced from PubChem (CID 17294662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).