N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C15H22Cl2N2 — CID 106603805

IUPACN-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccc(Cl)cc1Cl)CC1CCCN1
InChIInChI=1S/C15H22Cl2N2/c1-2-8-19(11-14-4-3-7-18-14)10-12-5-6-13(16)9-15(12)17/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3
InChIKeyVKXJQUWEGRSYRN-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.96
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106603805) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106603805
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccc(Cl)cc1Cl)CC1CCCN1
InChIInChI=1S/C15H22Cl2N2/c1-2-8-19(11-14-4-3-7-18-14)10-12-5-6-13(16)9-15(12)17/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3
InChIKeyVKXJQUWEGRSYRN-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623577
N-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106636023
3-chloro-4-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzonitrile
CID 106617879
N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine
CID 117059460
N-[(3-bromo-4-chlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603964
N-[(2-bromo-4-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615968
4-bromo-2-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 107739200
3-fluoro-4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106635989
N-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605404
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615580
N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605640
N-[(4-methyl-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603786

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106603805) is N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCCN(Cc1ccc(Cl)cc1Cl)CC1CCCN1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is VKXJQUWEGRSYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-2-8-19(11-14-4-3-7-18-14)10-12-5-6-13(16)9-15(12)17/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 301.26 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106603805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).