N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine

C14H24N2 — CID 61411427

IUPACN-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
SMILESCCNCCCN(C)Cc1ccccc1C
InChIInChI=1S/C14H24N2/c1-4-15-10-7-11-16(3)12-14-9-6-5-8-13(14)2/h5-6,8-9,15H,4,7,10-12H2,1-3H3
InChIKeyQQJZFRJJTMLZCR-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.43
Rot. Bonds7

About N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine

N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine (PubChem CID 61411427) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
PubChem CID61411427
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
SMILESCCNCCCN(C)Cc1ccccc1C
InChIInChI=1S/C14H24N2/c1-4-15-10-7-11-16(3)12-14-9-6-5-8-13(14)2/h5-6,8-9,15H,4,7,10-12H2,1-3H3
InChIKeyQQJZFRJJTMLZCR-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylpropyl)butane-1,4-diamine
CID 62461881
N'-[(2-chlorophenyl)methyl]-N-ethyl-N'-methylpentane-1,5-diamine
CID 62412963
N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62557176
N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435578
N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115464108
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
CID 115463670
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62558392
N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 62260863
N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 78791395
N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205937
N-[[5-methyl-4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 80720043
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556651

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine (CID 61411427) is N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine is CCNCCCN(C)Cc1ccccc1C.
What is the InChIKey of N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
The InChIKey is QQJZFRJJTMLZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-15-10-7-11-16(3)12-14-9-6-5-8-13(14)2/h5-6,8-9,15H,4,7,10-12H2,1-3H3.
What are the key properties of N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 61411427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).