2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine

C17H20BrClN2 — CID 79430229

IUPAC2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccncc1Cl)c1cccc(Br)c1
InChIInChI=1S/C17H20BrClN2/c1-2-7-20-11-15(13-4-3-5-16(18)10-13)9-14-6-8-21-12-17(14)19/h3-6,8,10,12,15,20H,2,7,9,11H2,1H3
InChIKeyOQFBWFLWQAAWCL-UHFFFAOYSA-N
MW367.72 g/mol
LogP4.82
Rot. Bonds7

About 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine

2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine (PubChem CID 79430229) has the molecular formula C17H20BrClN2 and a molecular weight of 367.72 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
PubChem CID79430229
Molecular FormulaC17H20BrClN2
Molecular Weight367.72 g/mol
Exact Mass366.05
IUPAC Name2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccncc1Cl)c1cccc(Br)c1
InChIInChI=1S/C17H20BrClN2/c1-2-7-20-11-15(13-4-3-5-16(18)10-13)9-14-6-8-21-12-17(14)19/h3-6,8,10,12,15,20H,2,7,9,11H2,1H3
InChIKeyOQFBWFLWQAAWCL-UHFFFAOYSA-N
XLogP4.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.72
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79433408
2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79432117
2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol
CID 79443451
2-(3-bromophenyl)-N-propylbutan-1-amine
CID 79443196
2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine
CID 106323813
3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79433426
2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 79443194
2-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 79443123
N-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine
CID 79433687
2-(3-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114858847
2-(3-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79430248
2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443421

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine (CID 79430229) is 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine is CCCNCC(Cc1ccncc1Cl)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine?
The InChIKey is OQFBWFLWQAAWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrClN2/c1-2-7-20-11-15(13-4-3-5-16(18)10-13)9-14-6-8-21-12-17(14)19/h3-6,8,10,12,15,20H,2,7,9,11H2,1H3.
What are the key properties of 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine?
2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine has a molecular weight of 367.72 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine is sourced from PubChem (CID 79430229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).