N-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

C15H20ClN3O2 — CID 106599891

IUPACN-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESO=[N+]([O-])c1cccc(Cl)c1CN(CC1CCCN1)C1CC1
InChIInChI=1S/C15H20ClN3O2/c16-14-4-1-5-15(19(20)21)13(14)10-18(12-6-7-12)9-11-3-2-8-17-11/h1,4-5,11-12,17H,2-3,6-10H2
InChIKeyGPVZSZIMMGOYDU-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.96
Rot. Bonds6

About N-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

N-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (PubChem CID 106599891) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
PubChem CID106599891
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESO=[N+]([O-])c1cccc(Cl)c1CN(CC1CCCN1)C1CC1
InChIInChI=1S/C15H20ClN3O2/c16-14-4-1-5-15(19(20)21)13(14)10-18(12-6-7-12)9-11-3-2-8-17-11/h1,4-5,11-12,17H,2-3,6-10H2
InChIKeyGPVZSZIMMGOYDU-UHFFFAOYSA-N
XLogP2.96
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621780
N-[(5-fluoro-2-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979143
3-[(2-chloro-6-nitrophenyl)methyl-cyclopropylamino]propanoic acid
CID 63746336
2-chloro-N-methyl-6-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607682
(2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine
CID 107716862
N-[(2-chloro-3-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599665
N-cyclopropyl-2-methyl-6-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641053
2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974055
N-(2-chlorophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 104979253
2-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619014
N-[(2-methyl-3-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615844
N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine
CID 102819455

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (CID 106599891) is N-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is O=[N+]([O-])c1cccc(Cl)c1CN(CC1CCCN1)C1CC1.
What is the InChIKey of N-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The InChIKey is GPVZSZIMMGOYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-14-4-1-5-15(19(20)21)13(14)10-18(12-6-7-12)9-11-3-2-8-17-11/h1,4-5,11-12,17H,2-3,6-10H2.
What are the key properties of N-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
N-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine has a molecular weight of 309.80 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106599891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).