N-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine

C14H16ClN3 — CID 104822348

IUPACN-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H16ClN3/c1-10-2-3-11(9-17-10)14(8-16)18-13-6-4-12(15)5-7-13/h2-7,9,14,18H,8,16H2,1H3
InChIKeyCWDWUILXURBPIA-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.16
Rot. Bonds4

About N-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine

N-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine (PubChem CID 104822348) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
PubChem CID104822348
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H16ClN3/c1-10-2-3-11(9-17-10)14(8-16)18-13-6-4-12(15)5-7-13/h2-7,9,14,18H,8,16H2,1H3
InChIKeyCWDWUILXURBPIA-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-(4-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
CID 82131042
N-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 65385961
1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81145659
N-(4-chlorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 65384888
1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104822357
N-[2-(4-chlorophenyl)sulfanyl-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66143609
N-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 113457103
1-(4-bromo-3-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81436862
N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822344
2-(6-methyl-3-pyridinyl)propan-1-amine
CID 81021181
1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 106817471
(3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanamine
CID 115854907

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine (CID 104822348) is N-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine is Cc1ccc(C(CN)Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is CWDWUILXURBPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-2-3-11(9-17-10)14(8-16)18-13-6-4-12(15)5-7-13/h2-7,9,14,18H,8,16H2,1H3.
What are the key properties of N-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine?
N-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethane-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-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 104822348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).