1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine

C13H22N2 — CID 62070144

IUPAC1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCc1ccc(C(CN)NC(C)C)cc1C
InChIInChI=1S/C13H22N2/c1-9(2)15-13(8-14)12-6-5-10(3)11(4)7-12/h5-7,9,13,15H,8,14H2,1-4H3
InChIKeyIBHINYBDKYDPNU-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.30
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine

1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 62070144) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID62070144
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCc1ccc(C(CN)NC(C)C)cc1C
InChIInChI=1S/C13H22N2/c1-9(2)15-13(8-14)12-6-5-10(3)11(4)7-12/h5-7,9,13,15H,8,14H2,1-4H3
InChIKeyIBHINYBDKYDPNU-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193661
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377760
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
1-(3-chloro-4-fluorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 81146229
1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 62071197
1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 62066969
N-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine
CID 65385280
1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 62070322
1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066957
N-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine
CID 82756921
4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol
CID 113376154

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine (CID 62070144) is 1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine is Cc1ccc(C(CN)NC(C)C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is IBHINYBDKYDPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-9(2)15-13(8-14)12-6-5-10(3)11(4)7-12/h5-7,9,13,15H,8,14H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine?
1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62070144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).