N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine

C14H16ClN3 — CID 82133167

IUPACN-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
SMILESCc1c(Cl)cccc1NC(CN)c1ccccn1
InChIInChI=1S/C14H16ClN3/c1-10-11(15)5-4-7-12(10)18-14(9-16)13-6-2-3-8-17-13/h2-8,14,18H,9,16H2,1H3
InChIKeyRGSBRMABDFSEQU-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.16
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine

N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine (PubChem CID 82133167) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
PubChem CID82133167
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
SMILESCc1c(Cl)cccc1NC(CN)c1ccccn1
InChIInChI=1S/C14H16ClN3/c1-10-11(15)5-4-7-12(10)18-14(9-16)13-6-2-3-8-17-13/h2-8,14,18H,9,16H2,1H3
InChIKeyRGSBRMABDFSEQU-UHFFFAOYSA-N
XLogP3.16
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65376884
N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine
CID 65378756
N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
CID 82131040
2,3-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196433
2-[1-(3-chloro-2-methylanilino)propyl]phenol
CID 43101368
2-(2,6-dichlorophenyl)-N-ethyl-1-pyridin-2-ylethanamine
CID 62602818
2-(2-chlorophenyl)-2-pyridin-2-ylethanamine
CID 82044086
N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
N-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine
CID 107308391
N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65377098
N-(2,3-dimethylphenyl)-1-pyridin-4-ylethane-1,2-diamine
CID 82130067
N-(1,3-benzodioxol-5-yl)-1-pyridin-2-ylethane-1,2-diamine
CID 82132325

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine (CID 82133167) is N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine is Cc1c(Cl)cccc1NC(CN)c1ccccn1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine?
The InChIKey is RGSBRMABDFSEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-11(15)5-4-7-12(10)18-14(9-16)13-6-2-3-8-17-13/h2-8,14,18H,9,16H2,1H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine?
N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine has a molecular weight of 261.76 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 82133167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).