N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine

C14H19ClN2 — CID 43280283

IUPACN-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine
SMILESClc1cccc(N2CCCC2)c1CNC1CC1
InChIInChI=1S/C14H19ClN2/c15-13-4-3-5-14(17-8-1-2-9-17)12(13)10-16-11-6-7-11/h3-5,11,16H,1-2,6-10H2
InChIKeyMZIDLTITJVKQBQ-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.19
Rot. Bonds4

About N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine

N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine (PubChem CID 43280283) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine
PubChem CID43280283
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC NameN-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine
SMILESClc1cccc(N2CCCC2)c1CNC1CC1
InChIInChI=1S/C14H19ClN2/c15-13-4-3-5-14(17-8-1-2-9-17)12(13)10-16-11-6-7-11/h3-5,11,16H,1-2,6-10H2
InChIKeyMZIDLTITJVKQBQ-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961538
1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol
CID 62943203
N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 63635865
N-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine
CID 43281017
N-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961261
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine
CID 63624469
[2-(azocan-1-yl)-6-chlorophenyl]methanamine
CID 28965332
N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 43280259
N-[[2-(4-bromopyrazol-1-yl)-6-chlorophenyl]methyl]cyclopropanamine
CID 54910024
N-[[2-chloro-6-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62489663
N-[[2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanamine
CID 61348078

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine (CID 43280283) is N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine is Clc1cccc(N2CCCC2)c1CNC1CC1.
What is the InChIKey of N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine?
The InChIKey is MZIDLTITJVKQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c15-13-4-3-5-14(17-8-1-2-9-17)12(13)10-16-11-6-7-11/h3-5,11,16H,1-2,6-10H2.
What are the key properties of N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine?
N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine has a molecular weight of 250.77 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 43280283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).