1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine

C15H19Cl2N — CID 113455278

IUPAC1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine
SMILESCC#CCCC(Cc1c(Cl)cccc1Cl)NCC
InChIInChI=1S/C15H19Cl2N/c1-3-5-6-8-12(18-4-2)11-13-14(16)9-7-10-15(13)17/h7,9-10,12,18H,4,6,8,11H2,1-2H3
InChIKeyDTXAYYITKRFWPP-UHFFFAOYSA-N
MW284.23 g/mol
LogP4.32
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine

1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine (PubChem CID 113455278) has the molecular formula C15H19Cl2N and a molecular weight of 284.23 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine
PubChem CID113455278
Molecular FormulaC15H19Cl2N
Molecular Weight284.23 g/mol
Exact Mass283.09
IUPAC Name1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine
SMILESCC#CCCC(Cc1c(Cl)cccc1Cl)NCC
InChIInChI=1S/C15H19Cl2N/c1-3-5-6-8-12(18-4-2)11-13-14(16)9-7-10-15(13)17/h7,9-10,12,18H,4,6,8,11H2,1-2H3
InChIKeyDTXAYYITKRFWPP-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 54.32
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-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 112688260
4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
CID 79088008
1-(2,6-dichlorophenyl)-N-ethyl-5-methoxypentan-2-amine
CID 62604328
1-(2-chloro-6-fluorophenyl)-N-ethylhex-4-yn-1-amine
CID 105037136
1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 64906804
1-(3,5-difluorophenyl)-N-ethylhept-5-yn-2-amine
CID 113455261
1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine
CID 63655696
1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128864
1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65134967
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009693
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 63415285

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine (CID 113455278) is 1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine is CC#CCCC(Cc1c(Cl)cccc1Cl)NCC.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine?
The InChIKey is DTXAYYITKRFWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N/c1-3-5-6-8-12(18-4-2)11-13-14(16)9-7-10-15(13)17/h7,9-10,12,18H,4,6,8,11H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine?
1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine has a molecular weight of 284.23 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine is sourced from PubChem (CID 113455278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).