3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine

C15H19Cl2N — CID 146003063

IUPAC3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine
SMILESCCCN(CC#Cc1ccc(Cl)c(Cl)c1)CCC
InChIInChI=1S/C15H19Cl2N/c1-3-9-18(10-4-2)11-5-6-13-7-8-14(16)15(17)12-13/h7-8,12H,3-4,9-11H2,1-2H3
InChIKeyIHXWVCVFAUUINS-UHFFFAOYSA-N
MW284.23 g/mol
LogP4.47
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine

3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine (PubChem CID 146003063) has the molecular formula C15H19Cl2N and a molecular weight of 284.23 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine
PubChem CID146003063
Molecular FormulaC15H19Cl2N
Molecular Weight284.23 g/mol
Exact Mass283.09
IUPAC Name3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine
SMILESCCCN(CC#Cc1ccc(Cl)c(Cl)c1)CCC
InChIInChI=1S/C15H19Cl2N/c1-3-9-18(10-4-2)11-5-6-13-7-8-14(16)15(17)12-13/h7-8,12H,3-4,9-11H2,1-2H3
InChIKeyIHXWVCVFAUUINS-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine
CID 146002877
3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride
CID 3049689
4-(3,4-dichlorophenyl)-N-methylbut-3-yn-1-amine
CID 170463870
1,2-dichloro-4-(5-chloropent-1-ynyl)benzene
CID 112554296
3-(4-chloro-3-fluorophenyl)-N,N-dimethylprop-2-yn-1-amine
CID 130055918
1,2-dichloro-4-pent-4-en-1-ynylbenzene;ethane;methanethiol;N-methylmethanamine
CID 142995595
2-chloro-1-methyl-4-pent-1-ynylbenzene
CID 130055675
3-[[3-(3-chlorophenyl)prop-2-ynyl-propylamino]methyl]phenol
CID 139688363
2-chloro-4-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzenesulfonamide
CID 60823041
3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine
CID 146003255
4-(3-bromoprop-1-ynyl)-1-chloro-2-methylbenzene
CID 130055683
3-(2-methoxyphenyl)-N,N-dipropylprop-2-yn-1-amine
CID 146003610

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine (CID 146003063) is 3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine is CCCN(CC#Cc1ccc(Cl)c(Cl)c1)CCC.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine?
The InChIKey is IHXWVCVFAUUINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N/c1-3-9-18(10-4-2)11-5-6-13-7-8-14(16)15(17)12-13/h7-8,12H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine?
3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine has a molecular weight of 284.23 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine is sourced from PubChem (CID 146003063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).