N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine

C17H22N2 — CID 39357128

IUPACN'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C)c(N(CCN)Cc2ccccc2)c1
InChIInChI=1S/C17H22N2/c1-14-8-9-15(2)17(12-14)19(11-10-18)13-16-6-4-3-5-7-16/h3-9,12H,10-11,13,18H2,1-2H3
InChIKeyQOVARGYRLRPRTN-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.27
Rot. Bonds5

About N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine

N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine (PubChem CID 39357128) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine
PubChem CID39357128
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C)c(N(CCN)Cc2ccccc2)c1
InChIInChI=1S/C17H22N2/c1-14-8-9-15(2)17(12-14)19(11-10-18)13-16-6-4-3-5-7-16/h3-9,12H,10-11,13,18H2,1-2H3
InChIKeyQOVARGYRLRPRTN-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N,2,5-trimethylaniline
CID 15439716
3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine
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CID 39373844
N'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 28771686
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 62255300
N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine
CID 114868985
2,5-dimethyl-N,N-dipropylaniline
CID 13113808
N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide
CID 120664269
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine
CID 10610052
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
4-[2-aminoethyl(benzyl)amino]-3-bromobenzonitrile
CID 106511699

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine (CID 39357128) is N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine is Cc1ccc(C)c(N(CCN)Cc2ccccc2)c1.
What is the InChIKey of N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is QOVARGYRLRPRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-14-8-9-15(2)17(12-14)19(11-10-18)13-16-6-4-3-5-7-16/h3-9,12H,10-11,13,18H2,1-2H3.
What are the key properties of N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine?
N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 39357128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).