1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine

C16H25Cl2N — CID 115863064

IUPAC1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine
SMILESCCCCC(CC)C(Cc1cc(Cl)ccc1Cl)NC
InChIInChI=1S/C16H25Cl2N/c1-4-6-7-12(5-2)16(19-3)11-13-10-14(17)8-9-15(13)18/h8-10,12,16,19H,4-7,11H2,1-3H3
InChIKeyMDQIWUYEFDPVEO-UHFFFAOYSA-N
MW302.29 g/mol
LogP5.34
Rot. Bonds8

About 1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine

1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine (PubChem CID 115863064) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine
PubChem CID115863064
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC Name1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine
SMILESCCCCC(CC)C(Cc1cc(Cl)ccc1Cl)NC
InChIInChI=1S/C16H25Cl2N/c1-4-6-7-12(5-2)16(19-3)11-13-10-14(17)8-9-15(13)18/h8-10,12,16,19H,4-7,11H2,1-3H3
InChIKeyMDQIWUYEFDPVEO-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol
CID 115801993
1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine
CID 63528266
1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine
CID 102622959
1,4-dichloro-2-(2-methylhexyl)benzene
CID 174519359
3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine
CID 63527234
1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
CID 115863293
[1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-yl]hydrazine
CID 105342705
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine
CID 105031448
1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
CID 103311982
3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine
CID 65316933
1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65321733
1-(2,5-dichlorophenyl)undecan-2-ylhydrazine
CID 105309812

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine (CID 115863064) is 1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine is CCCCC(CC)C(Cc1cc(Cl)ccc1Cl)NC.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine?
The InChIKey is MDQIWUYEFDPVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N/c1-4-6-7-12(5-2)16(19-3)11-13-10-14(17)8-9-15(13)18/h8-10,12,16,19H,4-7,11H2,1-3H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine?
1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine has a molecular weight of 302.29 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine is sourced from PubChem (CID 115863064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).