N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine

C14H24N2 — CID 43268554

IUPACN-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
SMILESCCCN(CC)C(CN)c1ccc(C)cc1
InChIInChI=1S/C14H24N2/c1-4-10-16(5-2)14(11-15)13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11,15H2,1-3H3
InChIKeyCYJMAYUIGYXCCU-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.73
Rot. Bonds6

About N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine

N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine (PubChem CID 43268554) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
PubChem CID43268554
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
SMILESCCCN(CC)C(CN)c1ccc(C)cc1
InChIInChI=1S/C14H24N2/c1-4-10-16(5-2)14(11-15)13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11,15H2,1-3H3
InChIKeyCYJMAYUIGYXCCU-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-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine
CID 43268550
3-[[2-amino-1-(4-methylphenyl)ethyl]-ethylamino]propanenitrile
CID 55016365
1-(4-ethylphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642716
N,N-bis(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 60709846
N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 115524220
N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine
CID 43079217
N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine
CID 43268541
1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642868
1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine
CID 16642736
N-methyl-1-(4-methylphenyl)-N-pentan-2-ylethane-1,2-diamine
CID 43571950
N-ethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62778521
1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine
CID 43753439

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine (CID 43268554) is N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine is CCCN(CC)C(CN)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine?
The InChIKey is CYJMAYUIGYXCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-10-16(5-2)14(11-15)13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11,15H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine?
N-ethyl-1-(4-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-(4-methylphenyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 43268554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).