1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride

C13H20Cl2N2 — CID 119928352

IUPAC1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCCN1Cc1ccccc1Cl.Cl
InChIInChI=1S/C13H19ClN2.ClH/c1-15-9-12-6-4-8-16(12)10-11-5-2-3-7-13(11)14;/h2-3,5,7,12,15H,4,6,8-10H2,1H3;1H
InChIKeyWVKAAYRMMJCTNM-UHFFFAOYSA-N
MW275.22 g/mol
LogP2.95
Rot. Bonds4

About 1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride

1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride (PubChem CID 119928352) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is 1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
PubChem CID119928352
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC Name1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCCN1Cc1ccccc1Cl.Cl
InChIInChI=1S/C13H19ClN2.ClH/c1-15-9-12-6-4-8-16(12)10-11-5-2-3-7-13(11)14;/h2-3,5,7,12,15H,4,6,8-10H2,1H3;1H
InChIKeyWVKAAYRMMJCTNM-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2-ethylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 113285206
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364
N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 62579866
2-[2-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 115463132
1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 113285201
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 63249109
1-[1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928550
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120842701
1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928392
1-[1-[(5-chloro-2-nitrophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928451
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 55092410

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride (CID 119928352) is 1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride is CNCC1CCCN1Cc1ccccc1Cl.Cl.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is WVKAAYRMMJCTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2.ClH/c1-15-9-12-6-4-8-16(12)10-11-5-2-3-7-13(11)14;/h2-3,5,7,12,15H,4,6,8-10H2,1H3;1H.
What are the key properties of 1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 275.22 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 119928352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).