N-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

C18H28N2O — CID 106599038

IUPACN-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESCCC(c1ccc(OC)cc1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C18H28N2O/c1-3-18(14-6-10-17(21-2)11-7-14)20(16-8-9-16)13-15-5-4-12-19-15/h6-7,10-11,15-16,18-19H,3-5,8-9,12-13H2,1-2H3
InChIKeyGPTHXXDZQLBPBY-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.36
Rot. Bonds7

About N-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

N-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (PubChem CID 106599038) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
PubChem CID106599038
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESCCC(c1ccc(OC)cc1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C18H28N2O/c1-3-18(14-6-10-17(21-2)11-7-14)20(16-8-9-16)13-15-5-4-12-19-15/h6-7,10-11,15-16,18-19H,3-5,8-9,12-13H2,1-2H3
InChIKeyGPTHXXDZQLBPBY-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598999
N-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621863
N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974197
N-[1-(4-methylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598998
N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603520
1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602815
4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106602440
N-[1-(3,4-dimethylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599141
N-[1-(5-fluoro-2-pyridinyl)propyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621639
1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol
CID 143526541
1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604524
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81371157

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (CID 106599038) is N-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is CCC(c1ccc(OC)cc1)N(CC1CCCN1)C1CC1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The InChIKey is GPTHXXDZQLBPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-18(14-6-10-17(21-2)11-7-14)20(16-8-9-16)13-15-5-4-12-19-15/h6-7,10-11,15-16,18-19H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
N-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine has a molecular weight of 288.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106599038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).