1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine

C16H26N2 — CID 63879248

IUPAC1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)CC2CC2C)c(C)c1
InChIInChI=1S/C16H26N2/c1-11-5-6-15(13(3)7-11)16(9-17)18(4)10-14-8-12(14)2/h5-7,12,14,16H,8-10,17H2,1-4H3
InChIKeyNZZUYXCAWZWSDP-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.89
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine

1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (PubChem CID 63879248) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
PubChem CID63879248
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)CC2CC2C)c(C)c1
InChIInChI=1S/C16H26N2/c1-11-5-6-15(13(3)7-11)16(9-17)18(4)10-14-8-12(14)2/h5-7,12,14,16H,8-10,17H2,1-4H3
InChIKeyNZZUYXCAWZWSDP-UHFFFAOYSA-N
XLogP2.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 55258811
1-(2,4-dimethylphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79308718
N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 43568902
1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 61426435
1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63879579
1-(2,4-dimethylphenyl)-N-methyl-N-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 55000948
N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 61416089
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 55258429
2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine
CID 63879251
1-(7-bromo-1,3-benzodioxol-5-yl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63878552
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
1-(2,5-dimethylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
CID 81059600

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (CID 63879248) is 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is Cc1ccc(C(CN)N(C)CC2CC2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The InChIKey is NZZUYXCAWZWSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-5-6-15(13(3)7-11)16(9-17)18(4)10-14-8-12(14)2/h5-7,12,14,16H,8-10,17H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63879248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).