2-(2-cyclopropylphenyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine

C18H28N2 — CID 79982473

IUPAC2-(2-cyclopropylphenyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCC(C)N(C(CN)c2ccccc2C2CC2)C1
InChIInChI=1S/C18H28N2/c1-13-7-8-14(2)20(12-13)18(11-19)17-6-4-3-5-16(17)15-9-10-15/h3-6,13-15,18H,7-12,19H2,1-2H3
InChIKeyJRQNLDNGZRYPKQ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.68
Rot. Bonds4

About 2-(2-cyclopropylphenyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine

2-(2-cyclopropylphenyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine (PubChem CID 79982473) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclopropylphenyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine
PubChem CID79982473
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(2-cyclopropylphenyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCC(C)N(C(CN)c2ccccc2C2CC2)C1
InChIInChI=1S/C18H28N2/c1-13-7-8-14(2)20(12-13)18(11-19)17-6-4-3-5-16(17)15-9-10-15/h3-6,13-15,18H,7-12,19H2,1-2H3
InChIKeyJRQNLDNGZRYPKQ-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopropylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 79982377
2-(2-cyclopropylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83053241
1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 79983177
2-(2-cyclopropylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 79971755
2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol
CID 117336931
2-(2-ethylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 55067304
2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 62331932
2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine
CID 60973440
(2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine
CID 59989968
3-amino-1-(2-cyclopropylphenyl)propan-1-ol
CID 79982961
4-amino-4-[2-(4-methylcyclohexyl)phenyl]butanoic acid
CID 117440873
2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 54881939

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2-cyclopropylphenyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine (CID 79982473) is 2-(2-cyclopropylphenyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-cyclopropylphenyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2-cyclopropylphenyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine is CC1CCC(C)N(C(CN)c2ccccc2C2CC2)C1.
What is the InChIKey of 2-(2-cyclopropylphenyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is JRQNLDNGZRYPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13-7-8-14(2)20(12-13)18(11-19)17-6-4-3-5-16(17)15-9-10-15/h3-6,13-15,18H,7-12,19H2,1-2H3.
What are the key properties of 2-(2-cyclopropylphenyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine?
2-(2-cyclopropylphenyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 272.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylphenyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 79982473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).