1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine

C18H32N2 — CID 63470604

IUPAC1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(CC(C)C)CC(C)C)cc1C
InChIInChI=1S/C18H32N2/c1-13(2)11-20(12-14(3)4)18(10-19)17-8-7-15(5)16(6)9-17/h7-9,13-14,18H,10-12,19H2,1-6H3
InChIKeyLZEXTURTINPXKQ-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.92
Rot. Bonds7

About 1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine

1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine (PubChem CID 63470604) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
PubChem CID63470604
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(CC(C)C)CC(C)C)cc1C
InChIInChI=1S/C18H32N2/c1-13(2)11-20(12-14(3)4)18(10-19)17-8-7-15(5)16(6)9-17/h7-9,13-14,18H,10-12,19H2,1-6H3
InChIKeyLZEXTURTINPXKQ-UHFFFAOYSA-N
XLogP3.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine
CID 43753439
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002447
1-(3-chloro-4-methylphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 106817259
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
1-(4-fluoro-3-methylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62120803
1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273497
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273492
N-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 55001014
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43753470
1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 114937039

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine (CID 63470604) is 1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine is Cc1ccc(C(CN)N(CC(C)C)CC(C)C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is LZEXTURTINPXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-13(2)11-20(12-14(3)4)18(10-19)17-8-7-15(5)16(6)9-17/h7-9,13-14,18H,10-12,19H2,1-6H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine?
1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 63470604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).