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

C14H24N2 — CID 115203419

IUPAC2-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
SMILESCc1ccccc1CCNCCC(C)CN
InChIInChI=1S/C14H24N2/c1-12(11-15)7-9-16-10-8-14-6-4-3-5-13(14)2/h3-6,12,16H,7-11,15H2,1-2H3
InChIKeyPHVGHVDSTOAHFS-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.11
Rot. Bonds7

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

2-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine (PubChem CID 115203419) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
PubChem CID115203419
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
SMILESCc1ccccc1CCNCCC(C)CN
InChIInChI=1S/C14H24N2/c1-12(11-15)7-9-16-10-8-14-6-4-3-5-13(14)2/h3-6,12,16H,7-11,15H2,1-2H3
InChIKeyPHVGHVDSTOAHFS-UHFFFAOYSA-N
XLogP2.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.11
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

2-methyl-4-[2-(2-methylphenyl)ethylamino]butanoic acid
CID 115220894
4-(2-methylphenyl)butan-2-ylhydrazine
CID 105282545
N-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine
CID 81019266
N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
CID 115202150
3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115180788
N'-[2-(3-bromophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115203423
N-[2-(2-methylphenyl)ethyl]prop-2-yn-1-amine
CID 112722414
N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198802
N'-[2-(5-bromo-2-methylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198789
1-[2-(2-methylphenyl)ethylamino]butan-2-ol
CID 79749191
4-methyl-1-(2-methylphenyl)pentan-3-amine
CID 43175902
4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine
CID 43175879

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine?
The IUPAC name of 2-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine (CID 115203419) is 2-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine?
The canonical SMILES for 2-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine is Cc1ccccc1CCNCCC(C)CN.
What is the InChIKey of 2-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine?
The InChIKey is PHVGHVDSTOAHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(11-15)7-9-16-10-8-14-6-4-3-5-13(14)2/h3-6,12,16H,7-11,15H2,1-2H3.
What are the key properties of 2-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine?
2-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine is sourced from PubChem (CID 115203419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).