1-(3,4-dichlorophenyl)-N-methylpropan-1-amine

C10H13Cl2N — CID 43486460

IUPAC1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2N/c1-3-10(13-2)7-4-5-8(11)9(12)6-7/h4-6,10,13H,3H2,1-2H3
InChIKeyQSZZNBOQUYJDGU-UHFFFAOYSA-N
MW218.13 g/mol
LogP3.66
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-N-methylpropan-1-amine

1-(3,4-dichlorophenyl)-N-methylpropan-1-amine (PubChem CID 43486460) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
PubChem CID43486460
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2N/c1-3-10(13-2)7-4-5-8(11)9(12)6-7/h4-6,10,13H,3H2,1-2H3
InChIKeyQSZZNBOQUYJDGU-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine
CID 81492431
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947987
1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 43486511
3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64814917
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
1-(3,4-dichlorophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949498
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753
1-(3,4-dichlorophenyl)-N-methylhex-4-yn-1-amine
CID 104807089
N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine
CID 105350097
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43754801

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methylpropan-1-amine (CID 43486460) is 1-(3,4-dichlorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methylpropan-1-amine is CCC(NC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methylpropan-1-amine?
The InChIKey is QSZZNBOQUYJDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N/c1-3-10(13-2)7-4-5-8(11)9(12)6-7/h4-6,10,13H,3H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methylpropan-1-amine?
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine has a molecular weight of 218.13 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 43486460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).