1-(4-chlorophenyl)-N-methyl-3-phenyl-N-prop-2-enylprop-2-yn-1-amine

C19H18ClN — CID 126744130

IUPAC1-(4-chlorophenyl)-N-methyl-3-phenyl-N-prop-2-enylprop-2-yn-1-amine
SMILESC=CCN(C)C(C#Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN/c1-3-15-21(2)19(17-10-12-18(20)13-11-17)14-9-16-7-5-4-6-8-16/h3-8,10-13,19H,1,15H2,2H3
InChIKeyDRVTYKXDFFPGJN-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.55
Rot. Bonds4

About 1-(4-chlorophenyl)-N-methyl-3-phenyl-N-prop-2-enylprop-2-yn-1-amine

1-(4-chlorophenyl)-N-methyl-3-phenyl-N-prop-2-enylprop-2-yn-1-amine (PubChem CID 126744130) has the molecular formula C19H18ClN and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-3-phenyl-N-prop-2-enylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-3-phenyl-N-prop-2-enylprop-2-yn-1-amine
PubChem CID126744130
Molecular FormulaC19H18ClN
Molecular Weight295.81 g/mol
Exact Mass295.11
IUPAC Name1-(4-chlorophenyl)-N-methyl-3-phenyl-N-prop-2-enylprop-2-yn-1-amine
SMILESC=CCN(C)C(C#Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN/c1-3-15-21(2)19(17-10-12-18(20)13-11-17)14-9-16-7-5-4-6-8-16/h3-8,10-13,19H,1,15H2,2H3
InChIKeyDRVTYKXDFFPGJN-UHFFFAOYSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine
CID 54579274
N-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine
CID 135025577
N,N-dimethyl-5-phenylpent-1-en-4-yn-3-amine
CID 11206216
1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine
CID 101346242
1-phenylhex-5-en-1-yn-3-ylbenzene
CID 11183874
3-[(1R)-1-(4-chlorophenyl)-3-phenylprop-2-ynyl]pentane-2,4-dione
CID 102312739
N-[1-(4-chlorophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 62340706
N,N-diethyl-1-phenylhex-5-en-1-yn-3-amine
CID 4266736
(4,4-dimethyl-3-prop-2-enoxypent-1-ynyl)benzene
CID 10977247
1-chloro-4-[4-(2-phenylethynyl)phenyl]benzene
CID 69325008
N-(6-bromo-1-phenylhex-1-yn-3-yl)-N-prop-2-enylacetamide
CID 10019775
2-(4-chlorophenyl)-5-phenylpent-4-ynoic acid
CID 79440157

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-3-phenyl-N-prop-2-enylprop-2-yn-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-3-phenyl-N-prop-2-enylprop-2-yn-1-amine (CID 126744130) is 1-(4-chlorophenyl)-N-methyl-3-phenyl-N-prop-2-enylprop-2-yn-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-3-phenyl-N-prop-2-enylprop-2-yn-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-3-phenyl-N-prop-2-enylprop-2-yn-1-amine is C=CCN(C)C(C#Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-3-phenyl-N-prop-2-enylprop-2-yn-1-amine?
The InChIKey is DRVTYKXDFFPGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN/c1-3-15-21(2)19(17-10-12-18(20)13-11-17)14-9-16-7-5-4-6-8-16/h3-8,10-13,19H,1,15H2,2H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-3-phenyl-N-prop-2-enylprop-2-yn-1-amine?
1-(4-chlorophenyl)-N-methyl-3-phenyl-N-prop-2-enylprop-2-yn-1-amine has a molecular weight of 295.81 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-3-phenyl-N-prop-2-enylprop-2-yn-1-amine is sourced from PubChem (CID 126744130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).