N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine

C14H24N2O — CID 116933874

IUPACN'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
SMILESCNCCCC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-11(2)17-13-8-6-12(7-9-13)14(15)5-4-10-16-3/h6-9,11,14,16H,4-5,10,15H2,1-3H3
InChIKeyFVZMDSQNKFCXGR-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.47
Rot. Bonds7

About N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine

N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine (PubChem CID 116933874) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
PubChem CID116933874
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
SMILESCNCCCC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-11(2)17-13-8-6-12(7-9-13)14(15)5-4-10-16-3/h6-9,11,14,16H,4-5,10,15H2,1-3H3
InChIKeyFVZMDSQNKFCXGR-UHFFFAOYSA-N
XLogP2.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-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

(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933824
methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate
CID 54927572
(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 171210773
N'-methyl-1-(4-methylsulfanylphenyl)butane-1,4-diamine
CID 116933901
4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
CID 116934759
2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43184192
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 16781981
(1S)-1-(4-propan-2-yloxyphenyl)but-3-en-1-amine;hydrochloride
CID 171230366
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171230371

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine?
The IUPAC name of N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine (CID 116933874) is N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine.
What is the SMILES notation for N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine?
The canonical SMILES for N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine is CNCCCC(N)c1ccc(OC(C)C)cc1.
What is the InChIKey of N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine?
The InChIKey is FVZMDSQNKFCXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)17-13-8-6-12(7-9-13)14(15)5-4-10-16-3/h6-9,11,14,16H,4-5,10,15H2,1-3H3.
What are the key properties of N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine?
N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine is sourced from PubChem (CID 116933874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).