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

C14H17N3 — CID 65378191

IUPACN-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine
SMILESCc1cccc(NC(CN)c2cccnc2)c1
InChIInChI=1S/C14H17N3/c1-11-4-2-6-13(8-11)17-14(9-15)12-5-3-7-16-10-12/h2-8,10,14,17H,9,15H2,1H3
InChIKeyYEZJAFDWYNXFCT-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.50
Rot. Bonds4

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

N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine (PubChem CID 65378191) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine
PubChem CID65378191
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine
SMILESCc1cccc(NC(CN)c2cccnc2)c1
InChIInChI=1S/C14H17N3/c1-11-4-2-6-13(8-11)17-14(9-15)12-5-3-7-16-10-12/h2-8,10,14,17H,9,15H2,1H3
InChIKeyYEZJAFDWYNXFCT-UHFFFAOYSA-N
XLogP2.50
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378943
1-(3-methylphenyl)-N-phenylethane-1,2-diamine
CID 65380714
N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 65376750
2-(3-methylphenyl)-2-pyridin-3-ylethanamine
CID 68831421
1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377987
1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 81144777
[2-(3-methylphenyl)-1-pyridin-3-ylethyl]hydrazine
CID 105196124
N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65377988
2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65383709
1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377575
N,1-bis(3-chlorophenyl)ethane-1,2-diamine
CID 65383380

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine?
The IUPAC name of N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine (CID 65378191) is N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine?
The canonical SMILES for N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine is Cc1cccc(NC(CN)c2cccnc2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine?
The InChIKey is YEZJAFDWYNXFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-4-2-6-13(8-11)17-14(9-15)12-5-3-7-16-10-12/h2-8,10,14,17H,9,15H2,1H3.
What are the key properties of N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine?
N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 65378191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).