N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine

C14H24N2 — CID 115202150

IUPACN-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
SMILESCNCCCCNCCc1ccccc1C
InChIInChI=1S/C14H24N2/c1-13-7-3-4-8-14(13)9-12-16-11-6-5-10-15-2/h3-4,7-8,15-16H,5-6,9-12H2,1-2H3
InChIKeyRJXHYUKNNDODEV-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.13
Rot. Bonds8

About N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine

N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine (PubChem CID 115202150) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine.

Molecular Properties

Compound NameN-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
PubChem CID115202150
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
SMILESCNCCCCNCCc1ccccc1C
InChIInChI=1S/C14H24N2/c1-13-7-3-4-8-14(13)9-12-16-11-6-5-10-15-2/h3-4,7-8,15-16H,5-6,9-12H2,1-2H3
InChIKeyRJXHYUKNNDODEV-UHFFFAOYSA-N
XLogP2.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-methylphenyl)ethylamino]pentanoic acid
CID 103256373
N'-[2-(5-bromo-2-methylphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202149
N-methyl-2-(2-methylphenyl)ethanamine;toluene
CID 142152670
N-[2-(2-methylphenyl)ethyl]prop-2-yn-1-amine
CID 112722414
N-methyl-2-[2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]ethanamine
CID 115463972
N-benzyl-3-(2-methylphenyl)propan-1-amine
CID 62047692
N-[2-(2-fluorophenyl)ethyl]pentan-1-amine
CID 28576989
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
2-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
CID 115203419
N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline
CID 115212839
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol
CID 21152964

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine?
The IUPAC name of N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine (CID 115202150) is N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine.
What is the SMILES notation for N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine?
The canonical SMILES for N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine is CNCCCCNCCc1ccccc1C.
What is the InChIKey of N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine?
The InChIKey is RJXHYUKNNDODEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-13-7-3-4-8-14(13)9-12-16-11-6-5-10-15-2/h3-4,7-8,15-16H,5-6,9-12H2,1-2H3.
What are the key properties of N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine?
N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine is sourced from PubChem (CID 115202150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).