2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline

C14H14BrClN2 — CID 104723469

IUPAC2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCc1cc(Br)c(NCCc2ccncc2)cc1Cl
InChIInChI=1S/C14H14BrClN2/c1-10-8-12(15)14(9-13(10)16)18-7-4-11-2-5-17-6-3-11/h2-3,5-6,8-9,18H,4,7H2,1H3
InChIKeyNRBGQFIUKYGNMS-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.46
Rot. Bonds4

About 2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline

2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 104723469) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline
PubChem CID104723469
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCc1cc(Br)c(NCCc2ccncc2)cc1Cl
InChIInChI=1S/C14H14BrClN2/c1-10-8-12(15)14(9-13(10)16)18-7-4-11-2-5-17-6-3-11/h2-3,5-6,8-9,18H,4,7H2,1H3
InChIKeyNRBGQFIUKYGNMS-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 82757124
2,4,5-trichloro-N-(2-pyridin-4-ylethyl)aniline
CID 60864708
4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 114255842
4-bromo-2,3-dichloro-N-(2-pyridin-4-ylethyl)aniline
CID 114001741
4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 3747457
2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
CID 60864895
2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline
CID 104726372
2-bromo-5-chloro-4-methyl-N-(3-methylbutyl)aniline
CID 104722862
2-chloro-N-(2-pyridin-4-ylethyl)aniline
CID 45156427
2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline
CID 107606595
2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102881041
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline (CID 104723469) is 2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline is Cc1cc(Br)c(NCCc2ccncc2)cc1Cl.
What is the InChIKey of 2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is NRBGQFIUKYGNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-10-8-12(15)14(9-13(10)16)18-7-4-11-2-5-17-6-3-11/h2-3,5-6,8-9,18H,4,7H2,1H3.
What are the key properties of 2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline?
2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 325.64 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 104723469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).