3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride

C15H21Cl2N — CID 3049689

IUPAC3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride
SMILESCCCN(CC#Cc1ccc(Cl)cc1)CCC.Cl
InChIInChI=1S/C15H20ClN.ClH/c1-3-11-17(12-4-2)13-5-6-14-7-9-15(16)10-8-14;/h7-10H,3-4,11-13H2,1-2H3;1H
InChIKeyRVKOIEGUWBJRBP-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.24
Rot. Bonds5

About 3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride

3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride (PubChem CID 3049689) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride
PubChem CID3049689
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride
SMILESCCCN(CC#Cc1ccc(Cl)cc1)CCC.Cl
InChIInChI=1S/C15H20ClN.ClH/c1-3-11-17(12-4-2)13-5-6-14-7-9-15(16)10-8-14;/h7-10H,3-4,11-13H2,1-2H3;1H
InChIKeyRVKOIEGUWBJRBP-UHFFFAOYSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.24
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-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine
CID 146003063
3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine
CID 146002877
1-chloro-4-(4-pent-1-ynylphenyl)benzene
CID 19386294
1-chloro-4-dodec-1-ynylbenzene
CID 146003040
3-(4-chlorophenyl)prop-2-yn-1-amine;hydrochloride
CID 155294566
3-(4-tert-butylphenyl)-N,N-diethylprop-2-yn-1-amine
CID 146002814
N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
CID 5261961
1-[3-(4-chlorophenyl)prop-2-ynyl-methylamino]-3-methoxypropan-2-ol
CID 111825607
4-(4-chlorophenyl)but-3-yn-1-amine
CID 116641356
3-[[3-(3-chlorophenyl)prop-2-ynyl-propylamino]methyl]phenol
CID 139688363
2-[(4-chlorophenyl)methyl-propylamino]acetonitrile
CID 12861903
3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine
CID 146003255

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride (CID 3049689) is 3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride is CCCN(CC#Cc1ccc(Cl)cc1)CCC.Cl.
What is the InChIKey of 3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride?
The InChIKey is RVKOIEGUWBJRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN.ClH/c1-3-11-17(12-4-2)13-5-6-14-7-9-15(16)10-8-14;/h7-10H,3-4,11-13H2,1-2H3;1H.
What are the key properties of 3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride?
3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride has a molecular weight of 286.25 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride is sourced from PubChem (CID 3049689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).