1-(3,5-dichlorophenyl)-N-ethyl-3-methylidenepentan-1-amine

C14H19Cl2N — CID 105006003

IUPAC1-(3,5-dichlorophenyl)-N-ethyl-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NCC)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H19Cl2N/c1-4-10(3)6-14(17-5-2)11-7-12(15)9-13(16)8-11/h7-9,14,17H,3-6H2,1-2H3
InChIKeyMQINVSNCVHIGBT-UHFFFAOYSA-N
MW272.22 g/mol
LogP5.00
Rot. Bonds6

About 1-(3,5-dichlorophenyl)-N-ethyl-3-methylidenepentan-1-amine

1-(3,5-dichlorophenyl)-N-ethyl-3-methylidenepentan-1-amine (PubChem CID 105006003) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-ethyl-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-ethyl-3-methylidenepentan-1-amine
PubChem CID105006003
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name1-(3,5-dichlorophenyl)-N-ethyl-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NCC)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H19Cl2N/c1-4-10(3)6-14(17-5-2)11-7-12(15)9-13(16)8-11/h7-9,14,17H,3-6H2,1-2H3
InChIKeyMQINVSNCVHIGBT-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.22
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dichlorophenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039546
1-(3,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 115782535
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methylidenepentan-1-amine
CID 105005837
1-(3-bromo-4-methoxyphenyl)-N-ethyl-3-methylidenepentan-1-amine
CID 105005702
1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride
CID 45259637
2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 63527053
1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024119
1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine
CID 66147897
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethyl-3-methylidenepentan-1-amine
CID 105006031
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine
CID 114894898
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66039712
N-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine
CID 81144073

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-ethyl-3-methylidenepentan-1-amine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-ethyl-3-methylidenepentan-1-amine (CID 105006003) is 1-(3,5-dichlorophenyl)-N-ethyl-3-methylidenepentan-1-amine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-ethyl-3-methylidenepentan-1-amine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-ethyl-3-methylidenepentan-1-amine is C=C(CC)CC(NCC)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-ethyl-3-methylidenepentan-1-amine?
The InChIKey is MQINVSNCVHIGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-4-10(3)6-14(17-5-2)11-7-12(15)9-13(16)8-11/h7-9,14,17H,3-6H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-ethyl-3-methylidenepentan-1-amine?
1-(3,5-dichlorophenyl)-N-ethyl-3-methylidenepentan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-ethyl-3-methylidenepentan-1-amine is sourced from PubChem (CID 105006003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).