1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine

C18H23BrN2 — CID 105181327

IUPAC1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
SMILESCCNC(CCc1cccc(C)c1)Cc1cncc(Br)c1
InChIInChI=1S/C18H23BrN2/c1-3-21-18(11-16-10-17(19)13-20-12-16)8-7-15-6-4-5-14(2)9-15/h4-6,9-10,12-13,18,21H,3,7-8,11H2,1-2H3
InChIKeyXROKQQHKEHQMBX-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.31
Rot. Bonds7

About 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine

1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine (PubChem CID 105181327) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
PubChem CID105181327
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
SMILESCCNC(CCc1cccc(C)c1)Cc1cncc(Br)c1
InChIInChI=1S/C18H23BrN2/c1-3-21-18(11-16-10-17(19)13-20-12-16)8-7-15-6-4-5-14(2)9-15/h4-6,9-10,12-13,18,21H,3,7-8,11H2,1-2H3
InChIKeyXROKQQHKEHQMBX-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105181259
1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105089943
1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine
CID 104801827
3-bromo-5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]pyridine
CID 104813345
1-(5-bromo-3-pyridinyl)-N-ethyldecan-2-amine
CID 105036977
4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine
CID 104800074
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105158723
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine
CID 104796752
1-(3-bromophenyl)-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103009375
1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 106867781
N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine
CID 105108675
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine (CID 105181327) is 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine is CCNC(CCc1cccc(C)c1)Cc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine?
The InChIKey is XROKQQHKEHQMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-3-21-18(11-16-10-17(19)13-20-12-16)8-7-15-6-4-5-14(2)9-15/h4-6,9-10,12-13,18,21H,3,7-8,11H2,1-2H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine?
1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine has a molecular weight of 347.30 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 105181327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).