3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine

C18H21BrClN — CID 79436032

IUPAC3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C18H21BrClN/c1-2-11-21-13-15(16-8-4-6-10-18(16)20)12-14-7-3-5-9-17(14)19/h3-10,15,21H,2,11-13H2,1H3
InChIKeyNTORAZUDRODDSK-UHFFFAOYSA-N
MW366.73 g/mol
LogP5.43
Rot. Bonds7

About 3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine

3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine (PubChem CID 79436032) has the molecular formula C18H21BrClN and a molecular weight of 366.73 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine
PubChem CID79436032
Molecular FormulaC18H21BrClN
Molecular Weight366.73 g/mol
Exact Mass365.05
IUPAC Name3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C18H21BrClN/c1-2-11-21-13-15(16-8-4-6-10-18(16)20)12-14-7-3-5-9-17(14)19/h3-10,15,21H,2,11-13H2,1H3
InChIKeyNTORAZUDRODDSK-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.73
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79433426
2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 79436263
2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine
CID 107309793
2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79436816
2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644237
2-(2-chlorophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79448818
3-(2-chlorophenyl)-2-(4-fluorophenyl)-N-propylpropan-1-amine
CID 79432134
2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine
CID 79436436
3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 79441626
2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine
CID 79436264
3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine
CID 79435741
2-(2-bromophenyl)-N-propylheptan-1-amine
CID 79449289

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine (CID 79436032) is 3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine is CCCNCC(Cc1ccccc1Br)c1ccccc1Cl.
What is the InChIKey of 3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine?
The InChIKey is NTORAZUDRODDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClN/c1-2-11-21-13-15(16-8-4-6-10-18(16)20)12-14-7-3-5-9-17(14)19/h3-10,15,21H,2,11-13H2,1H3.
What are the key properties of 3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine?
3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine has a molecular weight of 366.73 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 79436032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).