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

C16H19BrN2 — CID 66446447

IUPAC1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
SMILESCCNC(c1ccccc1Br)C(C)c1ccccn1
InChIInChI=1S/C16H19BrN2/c1-3-18-16(13-8-4-5-9-14(13)17)12(2)15-10-6-7-11-19-15/h4-12,16,18H,3H2,1-2H3
InChIKeyVBMFSMHPMLTXGB-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.30
Rot. Bonds5

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

1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine (PubChem CID 66446447) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
PubChem CID66446447
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
SMILESCCNC(c1ccccc1Br)C(C)c1ccccn1
InChIInChI=1S/C16H19BrN2/c1-3-18-16(13-8-4-5-9-14(13)17)12(2)15-10-6-7-11-19-15/h4-12,16,18H,3H2,1-2H3
InChIKeyVBMFSMHPMLTXGB-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 106854819
N-ethyl-1-(2-fluorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66447023
N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 79217320
1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66447218
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 81295824
1-(2,5-dichlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446052
1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 81112033
1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66447432
1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446048
1-(2-bromophenyl)-N-ethyl-2-methylbutan-1-amine
CID 79445957
1-(2-methylfuran-3-yl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66448009
2-(2-bromophenyl)-N-ethylpentan-3-amine
CID 79308386

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine (CID 66446447) is 1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine is CCNC(c1ccccc1Br)C(C)c1ccccn1.
What is the InChIKey of 1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine?
The InChIKey is VBMFSMHPMLTXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-3-18-16(13-8-4-5-9-14(13)17)12(2)15-10-6-7-11-19-15/h4-12,16,18H,3H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine?
1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine has a molecular weight of 319.25 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 66446447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).