N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

C15H22ClFN2 — CID 106614617

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cc(F)ccc1Cl)CC1CCCN1
InChIInChI=1S/C15H22ClFN2/c1-11(2)19(10-14-4-3-7-18-14)9-12-8-13(17)5-6-15(12)16/h5-6,8,11,14,18H,3-4,7,9-10H2,1-2H3
InChIKeyWDPLPVJIJKLGER-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.44
Rot. Bonds5

About N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (PubChem CID 106614617) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
PubChem CID106614617
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cc(F)ccc1Cl)CC1CCCN1
InChIInChI=1S/C15H22ClFN2/c1-11(2)19(10-14-4-3-7-18-14)9-12-8-13(17)5-6-15(12)16/h5-6,8,11,14,18H,3-4,7,9-10H2,1-2H3
InChIKeyWDPLPVJIJKLGER-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106635442
N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622086
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632234
N-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603048
4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 107699282
3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622268
N-[(5-fluoro-2-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599700
N-[(2,5-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973976
2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107527335
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602849
N-(4-fluorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614350

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (CID 106614617) is N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is CC(C)N(Cc1cc(F)ccc1Cl)CC1CCCN1.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The InChIKey is WDPLPVJIJKLGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-11(2)19(10-14-4-3-7-18-14)9-12-8-13(17)5-6-15(12)16/h5-6,8,11,14,18H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine has a molecular weight of 284.81 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106614617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).