1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol

C14H24ClNO — CID 145435843

IUPAC1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
SMILESCC.CO.Clc1cccc(CN2CCCC2)c1
InChIInChI=1S/C11H14ClN.C2H6.CH4O/c12-11-5-3-4-10(8-11)9-13-6-1-2-7-13;2*1-2/h3-5,8H,1-2,6-7,9H2;1-2H3;2H,1H3
InChIKeyJGTAVWRZCVUYHZ-UHFFFAOYSA-N
MW257.81 g/mol
LogP3.57
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol

1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol (PubChem CID 145435843) has the molecular formula C14H24ClNO and a molecular weight of 257.81 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
PubChem CID145435843
Molecular FormulaC14H24ClNO
Molecular Weight257.81 g/mol
Exact Mass257.15
IUPAC Name1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
SMILESCC.CO.Clc1cccc(CN2CCCC2)c1
InChIInChI=1S/C11H14ClN.C2H6.CH4O/c12-11-5-3-4-10(8-11)9-13-6-1-2-7-13;2*1-2/h3-5,8H,1-2,6-7,9H2;1-2H3;2H,1H3
InChIKeyJGTAVWRZCVUYHZ-UHFFFAOYSA-N
XLogP3.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepane
CID 764025
(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724741
1-(2-bromoethyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 80675337
1-[(3-chlorophenyl)methyl]-4-methylpiperazine;oxalic acid
CID 45156065
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43917657
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
methyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
CID 110399100
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol?
The IUPAC name of 1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol (CID 145435843) is 1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol is CC.CO.Clc1cccc(CN2CCCC2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol?
The InChIKey is JGTAVWRZCVUYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN.C2H6.CH4O/c12-11-5-3-4-10(8-11)9-13-6-1-2-7-13;2*1-2/h3-5,8H,1-2,6-7,9H2;1-2H3;2H,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol?
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol has a molecular weight of 257.81 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol is sourced from PubChem (CID 145435843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).