1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine

C16H19BrN2 — CID 103522285

IUPAC1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NCCc1ccncc1
InChIInChI=1S/C16H19BrN2/c1-13(12-15-2-4-16(17)5-3-15)19-11-8-14-6-9-18-10-7-14/h2-7,9-10,13,19H,8,11-12H2,1H3
InChIKeyHIMFKRFCCBIWFX-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.61
Rot. Bonds6

About 1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine

1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine (PubChem CID 103522285) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine
PubChem CID103522285
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NCCc1ccncc1
InChIInChI=1S/C16H19BrN2/c1-13(12-15-2-4-16(17)5-3-15)19-11-8-14-6-9-18-10-7-14/h2-7,9-10,13,19H,8,11-12H2,1H3
InChIKeyHIMFKRFCCBIWFX-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-(2-pyridin-2-ylethyl)propan-2-amine
CID 103522112
1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 18790284
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 55087091
3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906
1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 82773330
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
N-(2-cyclopropylethyl)-1-pyridin-4-ylpropan-2-amine
CID 115892089
1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 64630354
(E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine
CID 103522298
1-(4-bromophenyl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine
CID 103522462

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine (CID 103522285) is 1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine is CC(Cc1ccc(Br)cc1)NCCc1ccncc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine?
The InChIKey is HIMFKRFCCBIWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-13(12-15-2-4-16(17)5-3-15)19-11-8-14-6-9-18-10-7-14/h2-7,9-10,13,19H,8,11-12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine?
1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-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-(2-pyridin-4-ylethyl)propan-2-amine is sourced from PubChem (CID 103522285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).