N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine

C14H24N2O — CID 115226389

IUPACN'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine
SMILESCC(C)Oc1ccc(C(C)(C)CNCN)cc1
InChIInChI=1S/C14H24N2O/c1-11(2)17-13-7-5-12(6-8-13)14(3,4)9-16-10-15/h5-8,11,16H,9-10,15H2,1-4H3
InChIKeyKRRJUVQEDBAWKM-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.26
Rot. Bonds6

About N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine

N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine (PubChem CID 115226389) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine.

Molecular Properties

Compound NameN'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine
PubChem CID115226389
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine
SMILESCC(C)Oc1ccc(C(C)(C)CNCN)cc1
InChIInChI=1S/C14H24N2O/c1-11(2)17-13-7-5-12(6-8-13)14(3,4)9-16-10-15/h5-8,11,16H,9-10,15H2,1-4H3
InChIKeyKRRJUVQEDBAWKM-UHFFFAOYSA-N
XLogP2.26
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine 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-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]methanethiol
CID 115228565
2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde
CID 115223542
3-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]propanenitrile
CID 115231351
2,4-dimethyl-N-propan-2-yl-4-(4-propan-2-yloxyphenyl)pentan-2-amine
CID 166818197
2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 116855579
1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene
CID 64715385
N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine
CID 115226456
N'-[2-methyl-2-(4-methylsulfonylphenyl)propyl]methanediamine
CID 115226420
1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine
CID 115197050
1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene
CID 70794455
N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 62595361
2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115251783

Frequently Asked Questions

What is the IUPAC name of N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine?
The IUPAC name of N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine (CID 115226389) is N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine.
What is the SMILES notation for N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine?
The canonical SMILES for N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine is CC(C)Oc1ccc(C(C)(C)CNCN)cc1.
What is the InChIKey of N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine?
The InChIKey is KRRJUVQEDBAWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)17-13-7-5-12(6-8-13)14(3,4)9-16-10-15/h5-8,11,16H,9-10,15H2,1-4H3.
What are the key properties of N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine?
N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine has a molecular weight of 236.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine is sourced from PubChem (CID 115226389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).