N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine

C14H19Cl2N — CID 43776540

IUPACN-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine
SMILESCCC(NC(C)C1CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N/c1-3-14(17-9(2)10-4-5-10)11-6-7-12(15)13(16)8-11/h6-10,14,17H,3-5H2,1-2H3
InChIKeyNVUMMDGBVZSVMX-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.83
Rot. Bonds5

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

N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine (PubChem CID 43776540) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine
PubChem CID43776540
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC NameN-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine
SMILESCCC(NC(C)C1CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N/c1-3-14(17-9(2)10-4-5-10)11-6-7-12(15)13(16)8-11/h6-10,14,17H,3-5H2,1-2H3
InChIKeyNVUMMDGBVZSVMX-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-N-[1-(oxan-4-yl)ethyl]propan-1-amine
CID 103788853
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
N-[1-(3,4-dichlorophenyl)propyl]-4-ethylcyclohexan-1-amine
CID 63454246
N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine
CID 81386303
N-[1-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine
CID 114543856
1-(3,4-dichlorophenyl)-N-(1-phenylpropan-2-yl)propan-1-amine
CID 63462746
N-[1-(3,4-dichlorophenyl)propyl]-4-propylcyclohexan-1-amine
CID 63454990
1-(3,4-dichlorophenyl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 105077128
1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913520

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine?
The IUPAC name of N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine (CID 43776540) is N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine is CCC(NC(C)C1CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine?
The InChIKey is NVUMMDGBVZSVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-3-14(17-9(2)10-4-5-10)11-6-7-12(15)13(16)8-11/h6-10,14,17H,3-5H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine?
N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine is sourced from PubChem (CID 43776540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).