2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

C18H29NO — CID 83159632

IUPAC2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCNCC(C)(Cc1c(C)cccc1C)C1CC1
InChIInChI=1S/C18H29NO/c1-14-6-5-7-15(2)17(14)12-18(3,16-8-9-16)13-19-10-11-20-4/h5-7,16,19H,8-13H2,1-4H3
InChIKeyMPGNYHBTBZYDEZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.50
Rot. Bonds8

About 2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (PubChem CID 83159632) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
PubChem CID83159632
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCNCC(C)(Cc1c(C)cccc1C)C1CC1
InChIInChI=1S/C18H29NO/c1-14-6-5-7-15(2)17(14)12-18(3,16-8-9-16)13-19-10-11-20-4/h5-7,16,19H,8-13H2,1-4H3
InChIKeyMPGNYHBTBZYDEZ-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159631
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 83160456
3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol
CID 83159271
2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159546
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83150803
2-cyclopropyl-N-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 83150816
3-(3-bromothiophen-2-yl)-2-cyclopropyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159994
2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83160271
2-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159723
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 83160366
2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159628
2-cyclopropyl-N-(2-methoxyethyl)-2-methyldecan-1-amine
CID 83160454

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (CID 83159632) is 2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is COCCNCC(C)(Cc1c(C)cccc1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The InChIKey is MPGNYHBTBZYDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14-6-5-7-15(2)17(14)12-18(3,16-8-9-16)13-19-10-11-20-4/h5-7,16,19H,8-13H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 83159632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).