1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine

C14H17Cl2N — CID 104804732

IUPAC1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine
SMILESCC#CCCC(Cc1ccc(Cl)cc1Cl)NC
InChIInChI=1S/C14H17Cl2N/c1-3-4-5-6-13(17-2)9-11-7-8-12(15)10-14(11)16/h7-8,10,13,17H,5-6,9H2,1-2H3
InChIKeyFCEFBOCEORLSOC-UHFFFAOYSA-N
MW270.20 g/mol
LogP3.93
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine

1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine (PubChem CID 104804732) has the molecular formula C14H17Cl2N and a molecular weight of 270.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine
PubChem CID104804732
Molecular FormulaC14H17Cl2N
Molecular Weight270.20 g/mol
Exact Mass269.07
IUPAC Name1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine
SMILESCC#CCCC(Cc1ccc(Cl)cc1Cl)NC
InChIInChI=1S/C14H17Cl2N/c1-3-4-5-6-13(17-2)9-11-7-8-12(15)10-14(11)16/h7-8,10,13,17H,5-6,9H2,1-2H3
InChIKeyFCEFBOCEORLSOC-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine
CID 83161129
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine
CID 62309590
1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine
CID 105037105
1-(2,4-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 103149314
N-[(2,4-dichlorophenyl)methyl]pent-3-yn-1-amine
CID 115978431
1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 55093519
1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 63412977
1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105132746
1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 115839945
1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine
CID 105197717
1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824685

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine (CID 104804732) is 1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine is CC#CCCC(Cc1ccc(Cl)cc1Cl)NC.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine?
The InChIKey is FCEFBOCEORLSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N/c1-3-4-5-6-13(17-2)9-11-7-8-12(15)10-14(11)16/h7-8,10,13,17H,5-6,9H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine?
1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine has a molecular weight of 270.20 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine is sourced from PubChem (CID 104804732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).