N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride

C18H21Cl2NO — CID 17055758

IUPACN-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
SMILESCc1ccc(COc2ccc(Cl)cc2CNC2CC2)cc1.Cl
InChIInChI=1S/C18H20ClNO.ClH/c1-13-2-4-14(5-3-13)12-21-18-9-6-16(19)10-15(18)11-20-17-7-8-17;/h2-6,9-10,17,20H,7-8,11-12H2,1H3;1H
InChIKeyFNIAUDXGBOZSNH-UHFFFAOYSA-N
MW338.28 g/mol
LogP4.90
Rot. Bonds6

About N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride

N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride (PubChem CID 17055758) has the molecular formula C18H21Cl2NO and a molecular weight of 338.28 g/mol. Its IUPAC name is N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
PubChem CID17055758
Molecular FormulaC18H21Cl2NO
Molecular Weight338.28 g/mol
Exact Mass337.10
IUPAC NameN-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
SMILESCc1ccc(COc2ccc(Cl)cc2CNC2CC2)cc1.Cl
InChIInChI=1S/C18H20ClNO.ClH/c1-13-2-4-14(5-3-13)12-21-18-9-6-16(19)10-15(18)11-20-17-7-8-17;/h2-6,9-10,17,20H,7-8,11-12H2,1H3;1H
InChIKeyFNIAUDXGBOZSNH-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 17055759
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723071
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
CID 17289738
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17055768
N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365706
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29187254
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 17055769
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126123799
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17215913
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17057050

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride?
The IUPAC name of N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride (CID 17055758) is N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride.
What is the SMILES notation for N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride?
The canonical SMILES for N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride is Cc1ccc(COc2ccc(Cl)cc2CNC2CC2)cc1.Cl.
What is the InChIKey of N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride?
The InChIKey is FNIAUDXGBOZSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO.ClH/c1-13-2-4-14(5-3-13)12-21-18-9-6-16(19)10-15(18)11-20-17-7-8-17;/h2-6,9-10,17,20H,7-8,11-12H2,1H3;1H.
What are the key properties of N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride?
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride has a molecular weight of 338.28 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride is sourced from PubChem (CID 17055758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).