N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride

C18H23Cl2NO — CID 17291308

IUPACN-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)CNCc1cccc(OCc2ccccc2Cl)c1.Cl
InChIInChI=1S/C18H22ClNO.ClH/c1-14(2)11-20-12-15-6-5-8-17(10-15)21-13-16-7-3-4-9-18(16)19;/h3-10,14,20H,11-13H2,1-2H3;1H
InChIKeyBBCXXJUAOBNOEF-UHFFFAOYSA-N
MW340.29 g/mol
LogP5.09
Rot. Bonds7

About N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride

N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride (PubChem CID 17291308) has the molecular formula C18H23Cl2NO and a molecular weight of 340.29 g/mol. Its IUPAC name is N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
PubChem CID17291308
Molecular FormulaC18H23Cl2NO
Molecular Weight340.29 g/mol
Exact Mass339.12
IUPAC NameN-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)CNCc1cccc(OCc2ccccc2Cl)c1.Cl
InChIInChI=1S/C18H22ClNO.ClH/c1-14(2)11-20-12-15-6-5-8-17(10-15)21-13-16-7-3-4-9-18(16)19;/h3-10,14,20H,11-13H2,1-2H3;1H
InChIKeyBBCXXJUAOBNOEF-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.29
LogP ≤ 55.09
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]propan-1-amine;hydrochloride
CID 17290892
N-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63486878
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17290694
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721454
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66527638
N',N'-dibutyl-N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214557
1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 4717010
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 4716036
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 38057973
2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63497350

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride (CID 17291308) is N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride is CC(C)CNCc1cccc(OCc2ccccc2Cl)c1.Cl.
What is the InChIKey of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride?
The InChIKey is BBCXXJUAOBNOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO.ClH/c1-14(2)11-20-12-15-6-5-8-17(10-15)21-13-16-7-3-4-9-18(16)19;/h3-10,14,20H,11-13H2,1-2H3;1H.
What are the key properties of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride?
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride has a molecular weight of 340.29 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 17291308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).