1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine

C15H17BrN2 — CID 79040984

IUPAC1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2/c1-11(13-6-8-14(16)9-7-13)18-12(2)15-5-3-4-10-17-15/h3-12,18H,1-2H3/t11?,12-/m0/s1
InChIKeyZEVXEDWHKFYMML-KIYNQFGBSA-N
MW305.22 g/mol
LogP4.26
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine

1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine (PubChem CID 79040984) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
PubChem CID79040984
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2/c1-11(13-6-8-14(16)9-7-13)18-12(2)15-5-3-4-10-17-15/h3-12,18H,1-2H3/t11?,12-/m0/s1
InChIKeyZEVXEDWHKFYMML-KIYNQFGBSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517
1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81392625
1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202622
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79037238
N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine
CID 62089613
1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401331
2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile
CID 81393551
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770
(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine (CID 79040984) is 1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine is CC(N[C@@H](C)c1ccccn1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The InChIKey is ZEVXEDWHKFYMML-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11(13-6-8-14(16)9-7-13)18-12(2)15-5-3-4-10-17-15/h3-12,18H,1-2H3/t11?,12-/m0/s1.
What are the key properties of 1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine has a molecular weight of 305.22 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine is sourced from PubChem (CID 79040984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).