N-(3-methylphenyl)sulfanyl-1-(3-pyridin-4-ylphenyl)methanamine

C19H18N2S — CID 145434017

IUPACN-(3-methylphenyl)sulfanyl-1-(3-pyridin-4-ylphenyl)methanamine
SMILESCc1cccc(SNCc2cccc(-c3ccncc3)c2)c1
InChIInChI=1S/C19H18N2S/c1-15-4-2-7-19(12-15)22-21-14-16-5-3-6-18(13-16)17-8-10-20-11-9-17/h2-13,21H,14H2,1H3
InChIKeyRPPMDKJOTNFFRI-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.85
Rot. Bonds5

About N-(3-methylphenyl)sulfanyl-1-(3-pyridin-4-ylphenyl)methanamine

N-(3-methylphenyl)sulfanyl-1-(3-pyridin-4-ylphenyl)methanamine (PubChem CID 145434017) has the molecular formula C19H18N2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(3-methylphenyl)sulfanyl-1-(3-pyridin-4-ylphenyl)methanamine.

Molecular Properties

Compound NameN-(3-methylphenyl)sulfanyl-1-(3-pyridin-4-ylphenyl)methanamine
PubChem CID145434017
Molecular FormulaC19H18N2S
Molecular Weight306.43 g/mol
Exact Mass306.12
IUPAC NameN-(3-methylphenyl)sulfanyl-1-(3-pyridin-4-ylphenyl)methanamine
SMILESCc1cccc(SNCc2cccc(-c3ccncc3)c2)c1
InChIInChI=1S/C19H18N2S/c1-15-4-2-7-19(12-15)22-21-14-16-5-3-6-18(13-16)17-8-10-20-11-9-17/h2-13,21H,14H2,1H3
InChIKeyRPPMDKJOTNFFRI-UHFFFAOYSA-N
XLogP4.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butane;4-(3-methylphenyl)pyridine
CID 155692257
N-methyl-1-(4-methylphenyl)-N-[(3-pyridin-4-ylphenyl)methyl]methanamine
CID 90708828
1-pyridin-4-yl-N-(4-pyridin-3-ylphenyl)sulfanylmethanamine
CID 165409512
(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
CID 23086760
(3-methylphenyl)sulfanylhydrazine
CID 117036019
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987
4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide
CID 110460835
N-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide
CID 118526786
(2S)-2-(methylamino)-3-(3-pyridin-4-ylphenyl)propanoic acid
CID 162376820
(3-methylphenyl)methanamine;4-methylpyridine
CID 142051199
(3-pyridin-4-ylphenyl)methyl methanesulfonate
CID 86634122
nickel(2+);tetrakis(4-phenylpyridine);bis(1,3-xylene);diisothiocyanate
CID 139198057

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)sulfanyl-1-(3-pyridin-4-ylphenyl)methanamine?
The IUPAC name of N-(3-methylphenyl)sulfanyl-1-(3-pyridin-4-ylphenyl)methanamine (CID 145434017) is N-(3-methylphenyl)sulfanyl-1-(3-pyridin-4-ylphenyl)methanamine.
What is the SMILES notation for N-(3-methylphenyl)sulfanyl-1-(3-pyridin-4-ylphenyl)methanamine?
The canonical SMILES for N-(3-methylphenyl)sulfanyl-1-(3-pyridin-4-ylphenyl)methanamine is Cc1cccc(SNCc2cccc(-c3ccncc3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)sulfanyl-1-(3-pyridin-4-ylphenyl)methanamine?
The InChIKey is RPPMDKJOTNFFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2S/c1-15-4-2-7-19(12-15)22-21-14-16-5-3-6-18(13-16)17-8-10-20-11-9-17/h2-13,21H,14H2,1H3.
What are the key properties of N-(3-methylphenyl)sulfanyl-1-(3-pyridin-4-ylphenyl)methanamine?
N-(3-methylphenyl)sulfanyl-1-(3-pyridin-4-ylphenyl)methanamine has a molecular weight of 306.43 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)sulfanyl-1-(3-pyridin-4-ylphenyl)methanamine is sourced from PubChem (CID 145434017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).