3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine

C17H28N2O — CID 114544621

IUPAC3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
SMILESCOc1ccccc1CC(C)(CN)NC1CCC(C)C1
InChIInChI=1S/C17H28N2O/c1-13-8-9-15(10-13)19-17(2,12-18)11-14-6-4-5-7-16(14)20-3/h4-7,13,15,19H,8-12,18H2,1-3H3
InChIKeyLXWQAWVSJZJXKG-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.73
Rot. Bonds6

About 3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine

3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine (PubChem CID 114544621) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
PubChem CID114544621
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
SMILESCOc1ccccc1CC(C)(CN)NC1CCC(C)C1
InChIInChI=1S/C17H28N2O/c1-13-8-9-15(10-13)19-17(2,12-18)11-14-6-4-5-7-16(14)20-3/h4-7,13,15,19H,8-12,18H2,1-3H3
InChIKeyLXWQAWVSJZJXKG-UHFFFAOYSA-N
XLogP2.73
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine
CID 64501539
3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 114831771
2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol
CID 65380128
2-N-(2-bromophenyl)-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 65383861
2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid
CID 60929248
4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide
CID 65236981
2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376142
2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831506
2,5-dimethyl-2-N-(3-methylcyclopentyl)hexane-1,2-diamine
CID 114544763
[2-(2-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293992
3-(2-methoxyphenyl)-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 65382377
2-(2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65414979

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine?
The IUPAC name of 3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine (CID 114544621) is 3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine?
The canonical SMILES for 3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine is COc1ccccc1CC(C)(CN)NC1CCC(C)C1.
What is the InChIKey of 3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine?
The InChIKey is LXWQAWVSJZJXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-8-9-15(10-13)19-17(2,12-18)11-14-6-4-5-7-16(14)20-3/h4-7,13,15,19H,8-12,18H2,1-3H3.
What are the key properties of 3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine?
3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine is sourced from PubChem (CID 114544621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).