N-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine

C15H21ClN2O — CID 120966581

IUPACN-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
SMILESCOc1ccc(Cl)c(CN(C2CC2)C2CCNC2)c1
InChIInChI=1S/C15H21ClN2O/c1-19-14-4-5-15(16)11(8-14)10-18(12-2-3-12)13-6-7-17-9-13/h4-5,8,12-13,17H,2-3,6-7,9-10H2,1H3
InChIKeyZMDMWOPLKRLWPL-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.67
Rot. Bonds5

About N-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine

N-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine (PubChem CID 120966581) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
PubChem CID120966581
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
SMILESCOc1ccc(Cl)c(CN(C2CC2)C2CCNC2)c1
InChIInChI=1S/C15H21ClN2O/c1-19-14-4-5-15(16)11(8-14)10-18(12-2-3-12)13-6-7-17-9-13/h4-5,8,12-13,17H,2-3,6-7,9-10H2,1H3
InChIKeyZMDMWOPLKRLWPL-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine?
The IUPAC name of N-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine (CID 120966581) is N-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for N-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine is COc1ccc(Cl)c(CN(C2CC2)C2CCNC2)c1.
What is the InChIKey of N-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine?
The InChIKey is ZMDMWOPLKRLWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-19-14-4-5-15(16)11(8-14)10-18(12-2-3-12)13-6-7-17-9-13/h4-5,8,12-13,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of N-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine?
N-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine has a molecular weight of 280.80 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 120966581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).