[1-[1-(4-bromophenyl)ethyl]-2H-pyridin-5-yl]methanamine

C14H17BrN2 — CID 22663662

IUPAC[1-[1-(4-bromophenyl)ethyl]-2H-pyridin-5-yl]methanamine
SMILESCC(c1ccc(Br)cc1)N1C=C(CN)C=CC1
InChIInChI=1S/C14H17BrN2/c1-11(13-4-6-14(15)7-5-13)17-8-2-3-12(9-16)10-17/h2-7,10-11H,8-9,16H2,1H3
InChIKeyIPBSKYHCHBMLDH-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.22
Rot. Bonds3

About [1-[1-(4-bromophenyl)ethyl]-2H-pyridin-5-yl]methanamine

[1-[1-(4-bromophenyl)ethyl]-2H-pyridin-5-yl]methanamine (PubChem CID 22663662) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is [1-[1-(4-bromophenyl)ethyl]-2H-pyridin-5-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(4-bromophenyl)ethyl]-2H-pyridin-5-yl]methanamine
PubChem CID22663662
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name[1-[1-(4-bromophenyl)ethyl]-2H-pyridin-5-yl]methanamine
SMILESCC(c1ccc(Br)cc1)N1C=C(CN)C=CC1
InChIInChI=1S/C14H17BrN2/c1-11(13-4-6-14(15)7-5-13)17-8-2-3-12(9-16)10-17/h2-7,10-11H,8-9,16H2,1H3
InChIKeyIPBSKYHCHBMLDH-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Bretylium
CID 2431
1-(4-Bromophenyl)ethylamine
CID 91175
(R)-4-bromo-alpha-methylbenzylamine
CID 853000
4-Bromo-N,N-dimethylbenzylamine
CID 235757
Benzenemethanamine, 4-bromo-N-methyl-
CID 485400
1-[(4-Bromophenyl)methyl]piperazine
CID 876494
2-(4-Bromophenyl)-1-methylpyrrolidine
CID 284897
(4-Bromobenzyl)[2-(diethylamino)ethyl]methylamine
CID 784059
1-[(4-Bromophenyl)(phenyl)methyl]piperazine
CID 3704699
[2-(4-Bromo-phenyl)-1-methyl-ethyl]-(3-phenyl-propyl)-amine
CID 15061898
1-[(4-Bromophenyl)-phenylmethyl]-4-ethylpiperazine
CID 118119342
1-(4-Bromobenzyl)azepane
CID 791417

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-bromophenyl)ethyl]-2H-pyridin-5-yl]methanamine?
The IUPAC name of [1-[1-(4-bromophenyl)ethyl]-2H-pyridin-5-yl]methanamine (CID 22663662) is [1-[1-(4-bromophenyl)ethyl]-2H-pyridin-5-yl]methanamine.
What is the SMILES notation for [1-[1-(4-bromophenyl)ethyl]-2H-pyridin-5-yl]methanamine?
The canonical SMILES for [1-[1-(4-bromophenyl)ethyl]-2H-pyridin-5-yl]methanamine is CC(c1ccc(Br)cc1)N1C=C(CN)C=CC1.
What is the InChIKey of [1-[1-(4-bromophenyl)ethyl]-2H-pyridin-5-yl]methanamine?
The InChIKey is IPBSKYHCHBMLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-11(13-4-6-14(15)7-5-13)17-8-2-3-12(9-16)10-17/h2-7,10-11H,8-9,16H2,1H3.
What are the key properties of [1-[1-(4-bromophenyl)ethyl]-2H-pyridin-5-yl]methanamine?
[1-[1-(4-bromophenyl)ethyl]-2H-pyridin-5-yl]methanamine has a molecular weight of 293.21 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-bromophenyl)ethyl]-2H-pyridin-5-yl]methanamine is sourced from PubChem (CID 22663662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).