N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine

C14H24N2 — CID 61311067

IUPACN'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CC(N)c1cccc(C)c1
InChIInChI=1S/C14H24N2/c1-4-9-16(5-2)11-14(15)13-8-6-7-12(3)10-13/h6-8,10,14H,4-5,9,11,15H2,1-3H3
InChIKeySMNHOJLBMPZRME-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.73
Rot. Bonds6

About N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine

N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine (PubChem CID 61311067) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
PubChem CID61311067
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CC(N)c1cccc(C)c1
InChIInChI=1S/C14H24N2/c1-4-9-16(5-2)11-14(15)13-8-6-7-12(3)10-13/h6-8,10,14H,4-5,9,11,15H2,1-3H3
InChIKeySMNHOJLBMPZRME-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 61308176
N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308741
1-(3-methylphenyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 55002353
N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992533
N'-methyl-N'-(2-methylbutyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308743
N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102992514
N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308928
N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 54999518
N'-[(2S)-2-amino-2-phenylethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 112737155
N'-methyl-1-(3-methylphenyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 62628722
N,N-diethyl-3-hydrazinyl-3-(3-methylphenyl)propan-1-amine
CID 105244054
ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine
CID 156724875

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine (CID 61311067) is N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine is CCCN(CC)CC(N)c1cccc(C)c1.
What is the InChIKey of N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine?
The InChIKey is SMNHOJLBMPZRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-9-16(5-2)11-14(15)13-8-6-7-12(3)10-13/h6-8,10,14H,4-5,9,11,15H2,1-3H3.
What are the key properties of N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine?
N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 61311067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).