2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine

C14H15ClN2 — CID 102824301

IUPAC2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine
SMILESCc1ccccc1CCNc1ccnc(Cl)c1
InChIInChI=1S/C14H15ClN2/c1-11-4-2-3-5-12(11)6-8-16-13-7-9-17-14(15)10-13/h2-5,7,9-10H,6,8H2,1H3,(H,16,17)
InChIKeyBWGKFUGXZDQBFW-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.70
Rot. Bonds4

About 2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine

2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine (PubChem CID 102824301) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine
PubChem CID102824301
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine
SMILESCc1ccccc1CCNc1ccnc(Cl)c1
InChIInChI=1S/C14H15ClN2/c1-11-4-2-3-5-12(11)6-8-16-13-7-9-17-14(15)10-13/h2-5,7,9-10H,6,8H2,1H3,(H,16,17)
InChIKeyBWGKFUGXZDQBFW-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide
CID 112722856
2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 103756472
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695901
N-[2-(2-methylphenyl)ethyl]quinolin-4-amine
CID 79755193
6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716041
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104626521
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 79749854
4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763749
2-chloro-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796032
N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 83813273
2-chloro-N-pent-3-ynylpyridin-4-amine
CID 106196309

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine (CID 102824301) is 2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine is Cc1ccccc1CCNc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine?
The InChIKey is BWGKFUGXZDQBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-11-4-2-3-5-12(11)6-8-16-13-7-9-17-14(15)10-13/h2-5,7,9-10H,6,8H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine?
2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine has a molecular weight of 246.74 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine is sourced from PubChem (CID 102824301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).