1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine

C14H21ClN2 — CID 115316021

IUPAC1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1C(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2/c1-11(12-5-7-13(15)8-6-12)17-9-3-4-14(17)10-16-2/h5-8,11,14,16H,3-4,9-10H2,1-2H3
InChIKeyPMRPCRNXQOMDCT-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.08
Rot. Bonds4

About 1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine

1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 115316021) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID115316021
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1C(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2/c1-11(12-5-7-13(15)8-6-12)17-9-3-4-14(17)10-16-2/h5-8,11,14,16H,3-4,9-10H2,1-2H3
InChIKeyPMRPCRNXQOMDCT-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316199
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115316066
N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine
CID 115316141
N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine
CID 63249243
1-[1-[1-(4-ethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249069
1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249282
N-methyl-1-[1-[1-(4-methyl-3-nitrophenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115316091
1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 107355064
1-[1-[1-[3-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316160
N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine
CID 63249107
1-[1-[1-(furan-2-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249658
N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 114080437

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine (CID 115316021) is 1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine is CNCC1CCCN1C(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is PMRPCRNXQOMDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11(12-5-7-13(15)8-6-12)17-9-3-4-14(17)10-16-2/h5-8,11,14,16H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 252.79 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 115316021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).