N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine

C14H16ClN3 — CID 60870394

IUPACN-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine
SMILESCC(c1cccc(N)c1)N(C)c1ccc(Cl)cn1
InChIInChI=1S/C14H16ClN3/c1-10(11-4-3-5-13(16)8-11)18(2)14-7-6-12(15)9-17-14/h3-10H,16H2,1-2H3
InChIKeyOLRLQNICJLFQLD-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.51
Rot. Bonds3

About N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine

N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine (PubChem CID 60870394) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine
PubChem CID60870394
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine
SMILESCC(c1cccc(N)c1)N(C)c1ccc(Cl)cn1
InChIInChI=1S/C14H16ClN3/c1-10(11-4-3-5-13(16)8-11)18(2)14-7-6-12(15)9-17-14/h3-10H,16H2,1-2H3
InChIKeyOLRLQNICJLFQLD-UHFFFAOYSA-N
XLogP3.51
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[1-(3-aminophenyl)ethyl-methylamino]-1H-pyrimidin-6-one
CID 136979343
N-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine
CID 62958579
6-chloro-4-N-[1-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 47283103
6-(aminomethyl)-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984551
6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 76979765
N-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine
CID 113452094
2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid
CID 120964121
4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80919266
5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 107083060
2-bromo-1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylbenzene-1,4-diamine
CID 55187118
6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde
CID 80631934
5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926352

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine (CID 60870394) is N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine is CC(c1cccc(N)c1)N(C)c1ccc(Cl)cn1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine?
The InChIKey is OLRLQNICJLFQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10(11-4-3-5-13(16)8-11)18(2)14-7-6-12(15)9-17-14/h3-10H,16H2,1-2H3.
What are the key properties of N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine?
N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine has a molecular weight of 261.76 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 60870394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).