N-[(4-methylphenyl)methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine

C14H19NO2 — CID 141216589

IUPACN-[(4-methylphenyl)methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine
SMILESCc1ccc(CN(CC2CO2)CC2CO2)cc1
InChIInChI=1S/C14H19NO2/c1-11-2-4-12(5-3-11)6-15(7-13-9-16-13)8-14-10-17-14/h2-5,13-14H,6-10H2,1H3
InChIKeyFJKHTQSAHSHSTG-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.59
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine

N-[(4-methylphenyl)methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine (PubChem CID 141216589) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine
PubChem CID141216589
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(4-methylphenyl)methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine
SMILESCc1ccc(CN(CC2CO2)CC2CO2)cc1
InChIInChI=1S/C14H19NO2/c1-11-2-4-12(5-3-11)6-15(7-13-9-16-13)8-14-10-17-14/h2-5,13-14H,6-10H2,1H3
InChIKeyFJKHTQSAHSHSTG-UHFFFAOYSA-N
XLogP1.59
TPSA28.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-[(4-methylphenyl)methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine 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

N-[[2-[[bis(oxiran-2-ylmethyl)amino]methyl]phenyl]methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine
CID 18620359
[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934414
N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 51673993
N,N-bis[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86331312
N,2,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]aniline
CID 130492719
2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 43656550
4-(4-methylphenyl)sulfonyl-N,N-bis(oxiran-2-ylmethyl)aniline
CID 171467877
ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
CID 143603209
(2R)-1-(2-methylphenoxy)-3-[(4-methylphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 98688528
2-[[benzyl(oxiran-2-ylmethyl)amino]methyl]-4-chlorophenol
CID 102344635
4-[[4-[bis[[(2R)-oxiran-2-yl]methyl]amino]phenyl]methyl]-N,N-bis[[(2R)-oxiran-2-yl]methyl]aniline
CID 91826920
4-[[4-[bis[[(2S)-oxiran-2-yl]methyl]amino]phenyl]methyl]-N-[[(2R)-oxiran-2-yl]methyl]-N-[[(2S)-oxiran-2-yl]methyl]aniline
CID 91826921

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine (CID 141216589) is N-[(4-methylphenyl)methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine is Cc1ccc(CN(CC2CO2)CC2CO2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine?
The InChIKey is FJKHTQSAHSHSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-2-4-12(5-3-11)6-15(7-13-9-16-13)8-14-10-17-14/h2-5,13-14H,6-10H2,1H3.
What are the key properties of N-[(4-methylphenyl)methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine?
N-[(4-methylphenyl)methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine has a molecular weight of 233.31 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine is sourced from PubChem (CID 141216589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).