N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine

C14H22N2 — CID 65384182

IUPACN-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)NCC2CC2)c(C)c1
InChIInChI=1S/C14H22N2/c1-10-3-6-13(11(2)7-10)14(8-15)16-9-12-4-5-12/h3,6-7,12,14,16H,4-5,8-9,15H2,1-2H3
InChIKeyUYWSWEIUVYZEAP-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.30
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine

N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine (PubChem CID 65384182) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine
PubChem CID65384182
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)NCC2CC2)c(C)c1
InChIInChI=1S/C14H22N2/c1-10-3-6-13(11(2)7-10)14(8-15)16-9-12-4-5-12/h3,6-7,12,14,16H,4-5,8-9,15H2,1-2H3
InChIKeyUYWSWEIUVYZEAP-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65383338
N-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 65382922
2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile
CID 60997224
1-(2,4-dimethylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65385194
2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 62134825
ethyl N-[2-amino-1-(2,4-dimethylphenyl)ethyl]carbamate
CID 24689241
N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822344
3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 43482676
1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
CID 114075596
N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 113478717
N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 65385030
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846995

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine (CID 65384182) is N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine is Cc1ccc(C(CN)NCC2CC2)c(C)c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is UYWSWEIUVYZEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-3-6-13(11(2)7-10)14(8-15)16-9-12-4-5-12/h3,6-7,12,14,16H,4-5,8-9,15H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65384182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).