N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine

C14H21ClN2O — CID 56783532

IUPACN-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1CCC(NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2O/c1-18-9-8-17-7-6-14(11-17)16-10-12-2-4-13(15)5-3-12/h2-5,14,16H,6-11H2,1H3
InChIKeyURHFJLRIHHWWBI-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.15
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine

N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine (PubChem CID 56783532) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine
PubChem CID56783532
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1CCC(NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2O/c1-18-9-8-17-7-6-14(11-17)16-10-12-2-4-13(15)5-3-12/h2-5,14,16H,6-11H2,1H3
InChIKeyURHFJLRIHHWWBI-UHFFFAOYSA-N
XLogP2.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine (CID 56783532) is N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine is COCCN1CCC(NCc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine?
The InChIKey is URHFJLRIHHWWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-18-9-8-17-7-6-14(11-17)16-10-12-2-4-13(15)5-3-12/h2-5,14,16H,6-11H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine?
N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine has a molecular weight of 268.79 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 56783532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).