N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine

C16H22Cl2N2 — CID 106621780

IUPACN-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESClc1cccc(Cl)c1CN(CC1CCCCN1)C1CC1
InChIInChI=1S/C16H22Cl2N2/c17-15-5-3-6-16(18)14(15)11-20(13-7-8-13)10-12-4-1-2-9-19-12/h3,5-6,12-13,19H,1-2,4,7-11H2
InChIKeyMMCFKCDJNFDXDD-UHFFFAOYSA-N
MW313.27 g/mol
LogP4.10
Rot. Bonds5

About N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine

N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine (PubChem CID 106621780) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
PubChem CID106621780
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESClc1cccc(Cl)c1CN(CC1CCCCN1)C1CC1
InChIInChI=1S/C16H22Cl2N2/c17-15-5-3-6-16(18)14(15)11-20(13-7-8-13)10-12-4-1-2-9-19-12/h3,5-6,12-13,19H,1-2,4,7-11H2
InChIKeyMMCFKCDJNFDXDD-UHFFFAOYSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599891
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184
N-[(2-chloro-4-methylphenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106865751
N-[(2-chloro-3-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599665
N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621509
4-chloro-2-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 104973970
2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974055
N-[(5-chloro-2-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631571
2-[(2-bromo-6-chlorophenyl)methyl]piperidine
CID 117466290
N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine
CID 102819455
2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine
CID 117445162
N-[(2-bromo-5-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631534

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine (CID 106621780) is N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine is Clc1cccc(Cl)c1CN(CC1CCCCN1)C1CC1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine?
The InChIKey is MMCFKCDJNFDXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c17-15-5-3-6-16(18)14(15)11-20(13-7-8-13)10-12-4-1-2-9-19-12/h3,5-6,12-13,19H,1-2,4,7-11H2.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine?
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine has a molecular weight of 313.27 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106621780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).