1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine

C16H19BrN2 — CID 55087091

IUPAC1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
SMILESCCNC(Cc1ccncc1)Cc1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2/c1-2-19-16(12-14-7-9-18-10-8-14)11-13-3-5-15(17)6-4-13/h3-10,16,19H,2,11-12H2,1H3
InChIKeyNEYHMJXDTHMHBJ-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.61
Rot. Bonds6

About 1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine

1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine (PubChem CID 55087091) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
PubChem CID55087091
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
SMILESCCNC(Cc1ccncc1)Cc1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2/c1-2-19-16(12-14-7-9-18-10-8-14)11-13-3-5-15(17)6-4-13/h3-10,16,19H,2,11-12H2,1H3
InChIKeyNEYHMJXDTHMHBJ-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-ethylbutan-2-amine
CID 60819705
[1-(4-bromophenyl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105195629
1-(4-bromophenyl)-N-ethylpentan-2-amine
CID 60819872
1-(4-bromophenyl)-N,4-diethylhexan-2-amine
CID 82920737
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 62603056
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 64566592
1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105181259
4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine
CID 60995739
1-(4-bromophenyl)-N-ethylhex-5-yn-2-amine
CID 63656102
1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 103522285
2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66274181

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine (CID 55087091) is 1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine is CCNC(Cc1ccncc1)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine?
The InChIKey is NEYHMJXDTHMHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-2-19-16(12-14-7-9-18-10-8-14)11-13-3-5-15(17)6-4-13/h3-10,16,19H,2,11-12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine?
1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine has a molecular weight of 319.25 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 55087091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).