1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride

C15H17Cl2NO — CID 17290694

IUPAC1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cccc(OCc2ccccc2Cl)c1.Cl
InChIInChI=1S/C15H16ClNO.ClH/c1-17-10-12-5-4-7-14(9-12)18-11-13-6-2-3-8-15(13)16;/h2-9,17H,10-11H2,1H3;1H
InChIKeyVNZUTJIRWXHHGW-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.06
Rot. Bonds5

About 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride

1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride (PubChem CID 17290694) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
PubChem CID17290694
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cccc(OCc2ccccc2Cl)c1.Cl
InChIInChI=1S/C15H16ClNO.ClH/c1-17-10-12-5-4-7-14(9-12)18-11-13-6-2-3-8-15(13)16;/h2-9,17H,10-11H2,1H3;1H
InChIKeyVNZUTJIRWXHHGW-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290789
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721454
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290892
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291308
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687
1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66527638
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 4716036
1-[3-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658767
N',N'-dibutyl-N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214557
1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741801
1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62460997

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride (CID 17290694) is 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride is CNCc1cccc(OCc2ccccc2Cl)c1.Cl.
What is the InChIKey of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride?
The InChIKey is VNZUTJIRWXHHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO.ClH/c1-17-10-12-5-4-7-14(9-12)18-11-13-6-2-3-8-15(13)16;/h2-9,17H,10-11H2,1H3;1H.
What are the key properties of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride?
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride has a molecular weight of 298.21 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 17290694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).