1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine

C18H29BrClN — CID 105037738

IUPAC1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine
SMILESCCCCC(CC)C(Cc1ccc(Br)cc1Cl)NCCC
InChIInChI=1S/C18H29BrClN/c1-4-7-8-14(6-3)18(21-11-5-2)12-15-9-10-16(19)13-17(15)20/h9-10,13-14,18,21H,4-8,11-12H2,1-3H3
InChIKeyZNRNJIPSRNXOGX-UHFFFAOYSA-N
MW374.79 g/mol
LogP6.23
Rot. Bonds10

About 1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine

1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine (PubChem CID 105037738) has the molecular formula C18H29BrClN and a molecular weight of 374.79 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine
PubChem CID105037738
Molecular FormulaC18H29BrClN
Molecular Weight374.79 g/mol
Exact Mass373.12
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine
SMILESCCCCC(CC)C(Cc1ccc(Br)cc1Cl)NCCC
InChIInChI=1S/C18H29BrClN/c1-4-7-8-14(6-3)18(21-11-5-2)12-15-9-10-16(19)13-17(15)20/h9-10,13-14,18,21H,4-8,11-12H2,1-3H3
InChIKeyZNRNJIPSRNXOGX-UHFFFAOYSA-N
XLogP6.23
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 ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716006
1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 113471252
[1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine
CID 105335234
1-(4-bromo-2-chlorophenyl)octan-2-ylhydrazine
CID 105335285
N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 105037954
N-[(4-bromo-2-chlorophenyl)methyl]octan-4-amine
CID 114138050
1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine
CID 102622959
3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine
CID 63528478
1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718017
1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105181776
1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine
CID 82986931
[1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-yl]hydrazine
CID 105342705

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine (CID 105037738) is 1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine is CCCCC(CC)C(Cc1ccc(Br)cc1Cl)NCCC.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine?
The InChIKey is ZNRNJIPSRNXOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrClN/c1-4-7-8-14(6-3)18(21-11-5-2)12-15-9-10-16(19)13-17(15)20/h9-10,13-14,18,21H,4-8,11-12H2,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine?
1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine has a molecular weight of 374.79 g/mol, XLogP of 6.23, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine is sourced from PubChem (CID 105037738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).