2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine

C14H16BrN3 — CID 62475884

IUPAC2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1NC(C)c1cccc(Br)c1
InChIInChI=1S/C14H16BrN3/c1-9-6-13(16)8-17-14(9)18-10(2)11-4-3-5-12(15)7-11/h3-8,10H,16H2,1-2H3,(H,17,18)
InChIKeyPCTVIAHOFSOCGU-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.91
Rot. Bonds3

About 2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine

2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine (PubChem CID 62475884) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine
PubChem CID62475884
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1NC(C)c1cccc(Br)c1
InChIInChI=1S/C14H16BrN3/c1-9-6-13(16)8-17-14(9)18-10(2)11-4-3-5-12(15)7-11/h3-8,10H,16H2,1-2H3,(H,17,18)
InChIKeyPCTVIAHOFSOCGU-UHFFFAOYSA-N
XLogP3.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[1-(3-bromophenyl)ethyl]pyrimidine-4,5-diamine
CID 79917140
3-bromo-2-N-(1-phenylethyl)pyridine-2,5-diamine
CID 79531608
4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80807914
3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine
CID 106215673
5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine
CID 114869184
2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine
CID 55080459
4-N-[1-(3-bromophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80808005
4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986912
N-[1-(3-bromophenyl)ethyl]-5-methyl-3-nitropyridin-2-amine
CID 66280699
N-[1-(3-aminophenyl)ethyl]-5-bromo-3-(trifluoromethyl)pyridin-2-amine
CID 106796671
2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine
CID 78988750
5-N-[1-(3-bromophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027953

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine (CID 62475884) is 2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine is Cc1cc(N)cnc1NC(C)c1cccc(Br)c1.
What is the InChIKey of 2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine?
The InChIKey is PCTVIAHOFSOCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-9-6-13(16)8-17-14(9)18-10(2)11-4-3-5-12(15)7-11/h3-8,10H,16H2,1-2H3,(H,17,18).
What are the key properties of 2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine?
2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine has a molecular weight of 306.21 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine is sourced from PubChem (CID 62475884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).