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

C17H21Cl2NO — CID 17290892

IUPACN-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
SMILESCCCNCc1cccc(OCc2ccccc2Cl)c1.Cl
InChIInChI=1S/C17H20ClNO.ClH/c1-2-10-19-12-14-6-5-8-16(11-14)20-13-15-7-3-4-9-17(15)18;/h3-9,11,19H,2,10,12-13H2,1H3;1H
InChIKeyDUTDIEAKQJZHKI-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.84
Rot. Bonds7

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

N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride (PubChem CID 17290892) has the molecular formula C17H21Cl2NO and a molecular weight of 326.27 g/mol. Its IUPAC name is N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
PubChem CID17290892
Molecular FormulaC17H21Cl2NO
Molecular Weight326.27 g/mol
Exact Mass325.10
IUPAC NameN-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
SMILESCCCNCc1cccc(OCc2ccccc2Cl)c1.Cl
InChIInChI=1S/C17H20ClNO.ClH/c1-2-10-19-12-14-6-5-8-16(11-14)20-13-15-7-3-4-9-17(15)18;/h3-9,11,19H,2,10,12-13H2,1H3;1H
InChIKeyDUTDIEAKQJZHKI-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290789
N',N'-dibutyl-N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214557
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 39368953
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17290694
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291308
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721454
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66527638
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 4716036
N-[[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 103037800
N-[[3-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 63944074
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107305709
1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride?
The IUPAC name of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride (CID 17290892) is N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride?
The canonical SMILES for N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride is CCCNCc1cccc(OCc2ccccc2Cl)c1.Cl.
What is the InChIKey of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride?
The InChIKey is DUTDIEAKQJZHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO.ClH/c1-2-10-19-12-14-6-5-8-16(11-14)20-13-15-7-3-4-9-17(15)18;/h3-9,11,19H,2,10,12-13H2,1H3;1H.
What are the key properties of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride?
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride has a molecular weight of 326.27 g/mol, XLogP of 4.84, 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]propan-1-amine;hydrochloride is sourced from PubChem (CID 17290892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).