N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine

C14H22N2O — CID 65378828

IUPACN-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCc1cccc(NC(CN)C2CCOCC2)c1
InChIInChI=1S/C14H22N2O/c1-11-3-2-4-13(9-11)16-14(10-15)12-5-7-17-8-6-12/h2-4,9,12,14,16H,5-8,10,15H2,1H3
InChIKeyBZKISGRWDRFJAL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.16
Rot. Bonds4

About N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine

N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 65378828) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine
PubChem CID65378828
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCc1cccc(NC(CN)C2CCOCC2)c1
InChIInChI=1S/C14H22N2O/c1-11-3-2-4-13(9-11)16-14(10-15)12-5-7-17-8-6-12/h2-4,9,12,14,16H,5-8,10,15H2,1H3
InChIKeyBZKISGRWDRFJAL-UHFFFAOYSA-N
XLogP2.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylanilino)-2-(oxolan-3-yl)ethanol
CID 61047784
N-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 104776290
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
N-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 65382991
2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol
CID 62392316
N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine
CID 107582921
N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 84598905
3-bromo-N-[1-(oxolan-3-yl)propyl]aniline
CID 115916687
1-cyclopentyl-N-phenylethane-1,2-diamine
CID 65380108
N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine
CID 104721795
2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine
CID 62905159
1-(4-tert-butylcyclohexyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 104575435

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine (CID 65378828) is N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine is Cc1cccc(NC(CN)C2CCOCC2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is BZKISGRWDRFJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-3-2-4-13(9-11)16-14(10-15)12-5-7-17-8-6-12/h2-4,9,12,14,16H,5-8,10,15H2,1H3.
What are the key properties of N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine?
N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.16, 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-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 65378828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).