N-[1-(3,4-dichlorophenyl)ethyl]propan-1-amine;hydrochloride

C11H16Cl3N — CID 42947901

IUPACN-[1-(3,4-dichlorophenyl)ethyl]propan-1-amine;hydrochloride
SMILESCCCNC(C)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C11H15Cl2N.ClH/c1-3-6-14-8(2)9-4-5-10(12)11(13)7-9;/h4-5,7-8,14H,3,6H2,1-2H3;1H
InChIKeyZWWRVMHAWGIATM-UHFFFAOYSA-N
MW268.62 g/mol
LogP4.48
Rot. Bonds4

About N-[1-(3,4-dichlorophenyl)ethyl]propan-1-amine;hydrochloride

N-[1-(3,4-dichlorophenyl)ethyl]propan-1-amine;hydrochloride (PubChem CID 42947901) has the molecular formula C11H16Cl3N and a molecular weight of 268.62 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]propan-1-amine;hydrochloride
PubChem CID42947901
Molecular FormulaC11H16Cl3N
Molecular Weight268.62 g/mol
Exact Mass267.03
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]propan-1-amine;hydrochloride
SMILESCCCNC(C)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C11H15Cl2N.ClH/c1-3-6-14-8(2)9-4-5-10(12)11(13)7-9;/h4-5,7-8,14H,3,6H2,1-2H3;1H
InChIKeyZWWRVMHAWGIATM-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 123920
Clobenzorex
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N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
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Benzenemethanamine, 3,4-dichloro-
CID 1608
Benzenemethanamine, 4-chloro-N-methyl-
CID 66905
N1-(2-(3,4-Dichlorophenyl)ethyl)-N1,N2,N2-trimethyl-1,2-ethanediamine
CID 188914
3,4-Dichlorophenethylamine
CID 217958
Benzenemethanamine, 3-chloro-N-methyl-
CID 122721
3-(3,4-Dichlorophenyl)-2-nortropene
CID 10220657
(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine
CID 16102764
8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 121938

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]propan-1-amine;hydrochloride?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]propan-1-amine;hydrochloride (CID 42947901) is N-[1-(3,4-dichlorophenyl)ethyl]propan-1-amine;hydrochloride.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]propan-1-amine;hydrochloride?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]propan-1-amine;hydrochloride is CCCNC(C)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]propan-1-amine;hydrochloride?
The InChIKey is ZWWRVMHAWGIATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N.ClH/c1-3-6-14-8(2)9-4-5-10(12)11(13)7-9;/h4-5,7-8,14H,3,6H2,1-2H3;1H.
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]propan-1-amine;hydrochloride?
N-[1-(3,4-dichlorophenyl)ethyl]propan-1-amine;hydrochloride has a molecular weight of 268.62 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 42947901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).