N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine

C18H23BrN2 — CID 66448648

IUPACN-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncccc1C)c1cc(Br)ccc1C
InChIInChI=1S/C18H23BrN2/c1-4-9-20-18(12-17-14(3)6-5-10-21-17)16-11-15(19)8-7-13(16)2/h5-8,10-11,18,20H,4,9,12H2,1-3H3
InChIKeyYZXQSHNUOBQNKS-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.74
Rot. Bonds6

About N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine

N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine (PubChem CID 66448648) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
PubChem CID66448648
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC NameN-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncccc1C)c1cc(Br)ccc1C
InChIInChI=1S/C18H23BrN2/c1-4-9-20-18(12-17-14(3)6-5-10-21-17)16-11-15(19)8-7-13(16)2/h5-8,10-11,18,20H,4,9,12H2,1-3H3
InChIKeyYZXQSHNUOBQNKS-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66447483
N-[1-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 65306968
N-[1-(furan-2-yl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66446112
1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448055
1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448253
1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine
CID 63202116
N-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 66447481
N-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105181736
1-(3-methyl-2-pyridinyl)-N-propylpentan-2-amine
CID 63198506
1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846083
1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine
CID 105024448
N-[1-(5-bromo-2-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528282

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine (CID 66448648) is N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ncccc1C)c1cc(Br)ccc1C.
What is the InChIKey of N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine?
The InChIKey is YZXQSHNUOBQNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-4-9-20-18(12-17-14(3)6-5-10-21-17)16-11-15(19)8-7-13(16)2/h5-8,10-11,18,20H,4,9,12H2,1-3H3.
What are the key properties of N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine?
N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine has a molecular weight of 347.30 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 66448648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).