N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine

C20H26Cl2N2O — CID 35697888

IUPACN-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCc1ccc(COc2c(Cl)cc(Cl)cc2CNCCCN(C)C)cc1
InChIInChI=1S/C20H26Cl2N2O/c1-15-5-7-16(8-6-15)14-25-20-17(11-18(21)12-19(20)22)13-23-9-4-10-24(2)3/h5-8,11-12,23H,4,9-10,13-14H2,1-3H3
InChIKeyPNDNQJRBXDKKRA-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.92
Rot. Bonds9

About N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine

N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 35697888) has the molecular formula C20H26Cl2N2O and a molecular weight of 381.35 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID35697888
Molecular FormulaC20H26Cl2N2O
Molecular Weight381.35 g/mol
Exact Mass380.14
IUPAC NameN-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCc1ccc(COc2c(Cl)cc(Cl)cc2CNCCCN(C)C)cc1
InChIInChI=1S/C20H26Cl2N2O/c1-15-5-7-16(8-6-15)14-25-20-17(11-18(21)12-19(20)22)13-23-9-4-10-24(2)3/h5-8,11-12,23H,4,9-10,13-14H2,1-3H3
InChIKeyPNDNQJRBXDKKRA-UHFFFAOYSA-N
XLogP4.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 35697832
3-butoxy-N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 17207869
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 35697855
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156494
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 35697968
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 35698041
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 17057017
(1S)-N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 35697732
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 35697691
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 4718644
1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine
CID 63421756
N-[[5-chloro-3-[[3-(dimethylamino)propylamino]methyl]-2-(8-phenyloctoxy)phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 19930261

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine (CID 35697888) is N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine is Cc1ccc(COc2c(Cl)cc(Cl)cc2CNCCCN(C)C)cc1.
What is the InChIKey of N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is PNDNQJRBXDKKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2O/c1-15-5-7-16(8-6-15)14-25-20-17(11-18(21)12-19(20)22)13-23-9-4-10-24(2)3/h5-8,11-12,23H,4,9-10,13-14H2,1-3H3.
What are the key properties of N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 381.35 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 35697888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).