N-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine

C18H28N2O — CID 106621863

IUPACN-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESCOCC(c1ccccc1)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C18H28N2O/c1-21-14-18(15-7-3-2-4-8-15)20(17-10-11-17)13-16-9-5-6-12-19-16/h2-4,7-8,16-19H,5-6,9-14H2,1H3
InChIKeyGHAADGHNHTWUMB-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.98
Rot. Bonds7

About N-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine

N-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine (PubChem CID 106621863) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
PubChem CID106621863
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESCOCC(c1ccccc1)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C18H28N2O/c1-21-14-18(15-7-3-2-4-8-15)20(17-10-11-17)13-16-9-5-6-12-19-16/h2-4,7-8,16-19H,5-6,9-14H2,1H3
InChIKeyGHAADGHNHTWUMB-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599038
N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598999
N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602398
N-methyl-1,1-diphenyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106602654
N-(azocan-2-ylmethyl)-N-ethylaniline
CID 114240324
N-[1-(5-fluoro-2-pyridinyl)propyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621639
N-[1-(4-methylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598998
1-(2-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106623052
N-[1-(3,4-dimethylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599141
N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621821
N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621648
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide
CID 106631734

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine (CID 106621863) is N-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine is COCC(c1ccccc1)N(CC1CCCCN1)C1CC1.
What is the InChIKey of N-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
The InChIKey is GHAADGHNHTWUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-21-14-18(15-7-3-2-4-8-15)20(17-10-11-17)13-16-9-5-6-12-19-16/h2-4,7-8,16-19H,5-6,9-14H2,1H3.
What are the key properties of N-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
N-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine has a molecular weight of 288.43 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106621863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).