1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine

C12H17Cl2N — CID 43756202

IUPAC1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
SMILESCCC(NC(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N/c1-4-12(15-8(2)3)9-5-6-10(13)11(14)7-9/h5-8,12,15H,4H2,1-3H3
InChIKeyVAIOYUGKYJXKAC-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.44
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine

1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 43756202) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
PubChem CID43756202
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
SMILESCCC(NC(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N/c1-4-12(15-8(2)3)9-5-6-10(13)11(14)7-9/h5-8,12,15H,4H2,1-3H3
InChIKeyVAIOYUGKYJXKAC-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine
CID 43776540
1-(3,4-dichlorophenyl)-N-(1-phenylpropan-2-yl)propan-1-amine
CID 63462746
1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913520
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine
CID 81492431
1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 63449080
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine
CID 43779041
1-(3,4-dichlorophenyl)-N-[1-(oxan-4-yl)ethyl]propan-1-amine
CID 103788853
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine (CID 43756202) is 1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine is CCC(NC(C)C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is VAIOYUGKYJXKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-4-12(15-8(2)3)9-5-6-10(13)11(14)7-9/h5-8,12,15H,4H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine?
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 246.18 g/mol, XLogP of 4.44, 4 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-propan-2-ylpropan-1-amine is sourced from PubChem (CID 43756202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).