1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

C17H27N — CID 107004322

IUPAC1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)C1CC1(C)C
InChIInChI=1S/C17H27N/c1-12(2)14-8-6-13(7-9-14)10-16(18-5)15-11-17(15,3)4/h6-9,12,15-16,18H,10-11H2,1-5H3
InChIKeyKEPSKDKCTDRITQ-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.99
Rot. Bonds5

About 1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 107004322) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID107004322
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)C1CC1(C)C
InChIInChI=1S/C17H27N/c1-12(2)14-8-6-13(7-9-14)10-16(18-5)15-11-17(15,3)4/h6-9,12,15-16,18H,10-11H2,1-5H3
InChIKeyKEPSKDKCTDRITQ-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107188347
1-cyclohexyl-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63413394
N-methyl-1-(2-methylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 107188350
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 61222463
N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 107001147
2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004984
2-cyclopentyl-N-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 112569760
[1-cyclooctyl-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105254967
1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 107004226
[2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255638
1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 107179500
2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004316

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (CID 107004322) is 1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is CNC(Cc1ccc(C(C)C)cc1)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is KEPSKDKCTDRITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)14-8-6-13(7-9-14)10-16(18-5)15-11-17(15,3)4/h6-9,12,15-16,18H,10-11H2,1-5H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 245.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 107004322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).