N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine

C13H22N2 — CID 63322236

IUPACN'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine
SMILESCCN(C)CCCC(N)c1ccccc1
InChIInChI=1S/C13H22N2/c1-3-15(2)11-7-10-13(14)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11,14H2,1-2H3
InChIKeyOMYCVKFHBUMYOT-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.42
Rot. Bonds6

About N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine

N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine (PubChem CID 63322236) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine
PubChem CID63322236
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine
SMILESCCN(C)CCCC(N)c1ccccc1
InChIInChI=1S/C13H22N2/c1-3-15(2)11-7-10-13(14)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11,14H2,1-2H3
InChIKeyOMYCVKFHBUMYOT-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-ethyl-N'-methyl-1-phenylbutane-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

N'-ethyl-N'-heptyl-1-phenylbutane-1,4-diamine
CID 174264549
N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine
CID 63321755
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine
CID 63859842
N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
CID 63321890
N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine
CID 63656962
N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine
CID 112661233
N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 63321985
N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine
CID 63321844
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine
CID 63321929
1-phenyldecan-1-amine
CID 43175860
1-phenylhexan-1-amine;hydrochloride
CID 3033249

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine?
The IUPAC name of N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine (CID 63322236) is N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine is CCN(C)CCCC(N)c1ccccc1.
What is the InChIKey of N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine?
The InChIKey is OMYCVKFHBUMYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-15(2)11-7-10-13(14)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11,14H2,1-2H3.
What are the key properties of N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine?
N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine is sourced from PubChem (CID 63322236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).