1-(3-methylphenyl)ethane-1,1-diamine

C9H14N2 — CID 70165024

IUPAC1-(3-methylphenyl)ethane-1,1-diamine
SMILESCc1cccc(C(C)(N)N)c1
InChIInChI=1S/C9H14N2/c1-7-4-3-5-8(6-7)9(2,10)11/h3-6H,10-11H2,1-2H3
InChIKeyJTWQEGZPKNSPPK-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.09
Rot. Bonds1

About 1-(3-methylphenyl)ethane-1,1-diamine

1-(3-methylphenyl)ethane-1,1-diamine (PubChem CID 70165024) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(3-methylphenyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-(3-methylphenyl)ethane-1,1-diamine
PubChem CID70165024
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-(3-methylphenyl)ethane-1,1-diamine
SMILESCc1cccc(C(C)(N)N)c1
InChIInChI=1S/C9H14N2/c1-7-4-3-5-8(6-7)9(2,10)11/h3-6H,10-11H2,1-2H3
InChIKeyJTWQEGZPKNSPPK-UHFFFAOYSA-N
XLogP1.09
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine
CID 105452057
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400
1-(3-phenylphenyl)ethane-1,1-diamine
CID 174427406
1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 79991084
1-[1,1,2,2,3,3-hexafluoro-3-(3-methylphenyl)propyl]-3-methylbenzene
CID 163492269
1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine
CID 62788866
ethane;1-(3-methylphenyl)-1-(3-sulfanylphenyl)ethanol
CID 144517532
1-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanol
CID 62786600
1-(2-fluorobut-3-en-2-yl)-3-methylbenzene
CID 138579646
benzenethiol;1-tert-butyl-3-methylbenzene
CID 157301000
(2R)-2-(3-methylphenyl)propane-1,2-diol
CID 56926487

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)ethane-1,1-diamine?
The IUPAC name of 1-(3-methylphenyl)ethane-1,1-diamine (CID 70165024) is 1-(3-methylphenyl)ethane-1,1-diamine.
What is the SMILES notation for 1-(3-methylphenyl)ethane-1,1-diamine?
The canonical SMILES for 1-(3-methylphenyl)ethane-1,1-diamine is Cc1cccc(C(C)(N)N)c1.
What is the InChIKey of 1-(3-methylphenyl)ethane-1,1-diamine?
The InChIKey is JTWQEGZPKNSPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-4-3-5-8(6-7)9(2,10)11/h3-6H,10-11H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)ethane-1,1-diamine?
1-(3-methylphenyl)ethane-1,1-diamine has a molecular weight of 150.22 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)ethane-1,1-diamine is sourced from PubChem (CID 70165024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).