1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine

C18H29BrClN — CID 115567795

IUPAC1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine
SMILESCCCCC(CC)CC(NCCC)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C18H29BrClN/c1-4-7-8-14(6-3)12-18(21-11-5-2)15-9-10-17(20)16(19)13-15/h9-10,13-14,18,21H,4-8,11-12H2,1-3H3
InChIKeyFEODPHGUSHLIDE-UHFFFAOYSA-N
MW374.79 g/mol
LogP6.75
Rot. Bonds10

About 1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine

1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine (PubChem CID 115567795) has the molecular formula C18H29BrClN and a molecular weight of 374.79 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine
PubChem CID115567795
Molecular FormulaC18H29BrClN
Molecular Weight374.79 g/mol
Exact Mass373.12
IUPAC Name1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine
SMILESCCCCC(CC)CC(NCCC)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C18H29BrClN/c1-4-7-8-14(6-3)12-18(21-11-5-2)15-9-10-17(20)16(19)13-15/h9-10,13-14,18,21H,4-8,11-12H2,1-3H3
InChIKeyFEODPHGUSHLIDE-UHFFFAOYSA-N
XLogP6.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.79
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine
CID 115567747
1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028203
3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine
CID 63414460
1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine
CID 63415307
1-(2-bromo-5-methylphenyl)-3-ethyl-N-propylheptan-1-amine
CID 115806096
3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine
CID 63414016
1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine
CID 115806713
1-(3-bromo-4-chlorophenyl)-N-ethyloctan-1-amine
CID 115567420
N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine
CID 115567839
1-(3-bromo-4-chlorophenyl)-N-methylhexan-1-amine
CID 115567316
1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine
CID 115567637
(1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine
CID 171222556

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine (CID 115567795) is 1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine is CCCCC(CC)CC(NCCC)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine?
The InChIKey is FEODPHGUSHLIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrClN/c1-4-7-8-14(6-3)12-18(21-11-5-2)15-9-10-17(20)16(19)13-15/h9-10,13-14,18,21H,4-8,11-12H2,1-3H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine?
1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine has a molecular weight of 374.79 g/mol, XLogP of 6.75, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine is sourced from PubChem (CID 115567795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).