1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine

C16H25BrClN — CID 107945200

IUPAC1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
SMILESCCCCC(CC)CC(NC)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H25BrClN/c1-4-6-7-12(5-2)8-16(19-3)13-9-14(17)11-15(18)10-13/h9-12,16,19H,4-8H2,1-3H3
InChIKeyJQJWYBXSWWRJCV-UHFFFAOYSA-N
MW346.74 g/mol
LogP5.97
Rot. Bonds8

About 1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine

1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine (PubChem CID 107945200) has the molecular formula C16H25BrClN and a molecular weight of 346.74 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
PubChem CID107945200
Molecular FormulaC16H25BrClN
Molecular Weight346.74 g/mol
Exact Mass345.09
IUPAC Name1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
SMILESCCCCC(CC)CC(NC)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H25BrClN/c1-4-6-7-12(5-2)8-16(19-3)13-9-14(17)11-15(18)10-13/h9-12,16,19H,4-8H2,1-3H3
InChIKeyJQJWYBXSWWRJCV-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.74
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 55186033
3-ethyl-N-methyl-1-phenylheptan-1-amine
CID 63412711
1-(5-chloro-2-methylphenyl)-3-ethyl-N-methylheptan-1-amine
CID 115806267
1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine
CID 107945974
1-(3-bromo-5-chlorophenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 107945284
1-[4-(difluoromethoxy)phenyl]-3-ethyl-N-methylheptan-1-amine
CID 115806378
1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 107946370
3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 115805825
1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 107945139
1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 63419888
1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine
CID 114019196
1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine
CID 115567795

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine (CID 107945200) is 1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine is CCCCC(CC)CC(NC)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine?
The InChIKey is JQJWYBXSWWRJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrClN/c1-4-6-7-12(5-2)8-16(19-3)13-9-14(17)11-15(18)10-13/h9-12,16,19H,4-8H2,1-3H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine?
1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine has a molecular weight of 346.74 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine is sourced from PubChem (CID 107945200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).