1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine

C15H17BrN2 — CID 66448707

IUPAC1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine
SMILESCc1c(Br)cccc1C(N)C(C)c1ccncc1
InChIInChI=1S/C15H17BrN2/c1-10(12-6-8-18-9-7-12)15(17)13-4-3-5-14(16)11(13)2/h3-10,15H,17H2,1-2H3
InChIKeyHUXDORDAOXZPGP-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.96
Rot. Bonds3

About 1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine

1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine (PubChem CID 66448707) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine
PubChem CID66448707
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine
SMILESCc1c(Br)cccc1C(N)C(C)c1ccncc1
InChIInChI=1S/C15H17BrN2/c1-10(12-6-8-18-9-7-12)15(17)13-4-3-5-14(16)11(13)2/h3-10,15H,17H2,1-2H3
InChIKeyHUXDORDAOXZPGP-UHFFFAOYSA-N
XLogP3.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine
CID 66447347
2-phenyl-1-pyridin-4-ylpropan-1-amine
CID 22301590
1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine
CID 113460863
1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine
CID 66447737
(3-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860529
1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66446566
1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine
CID 66447741
2-[3-(3-bromo-2-methylphenyl)butan-2-yl]propane-1,3-diamine
CID 83925996
(3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol
CID 115781608
1-(furan-3-yl)-2-pyridin-4-ylpropan-1-amine
CID 66446369
1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine
CID 66448702
4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine
CID 66455036

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine (CID 66448707) is 1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine is Cc1c(Br)cccc1C(N)C(C)c1ccncc1.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine?
The InChIKey is HUXDORDAOXZPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-10(12-6-8-18-9-7-12)15(17)13-4-3-5-14(16)11(13)2/h3-10,15H,17H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine?
1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine has a molecular weight of 305.22 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 66448707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).