N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine

C16H24ClFN2 — CID 106637313

IUPACN-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cccc(F)c1Cl)CC1CCCNC1
InChIInChI=1S/C16H24ClFN2/c1-12(2)20(10-13-5-4-8-19-9-13)11-14-6-3-7-15(18)16(14)17/h3,6-7,12-13,19H,4-5,8-11H2,1-2H3
InChIKeyNLHRURUEMBXFOK-UHFFFAOYSA-N
MW298.83 g/mol
LogP3.69
Rot. Bonds5

About N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine

N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine (PubChem CID 106637313) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
PubChem CID106637313
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC NameN-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cccc(F)c1Cl)CC1CCCNC1
InChIInChI=1S/C16H24ClFN2/c1-12(2)20(10-13-5-4-8-19-9-13)11-14-6-3-7-15(18)16(14)17/h3,6-7,12-13,19H,4-5,8-11H2,1-2H3
InChIKeyNLHRURUEMBXFOK-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637770
N-[(2-bromo-5-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637553
2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106623984
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815611
N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715212
N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624705
2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630902
2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629488
2-fluoro-N,N-dimethyl-6-(piperidin-3-ylmethyl)aniline
CID 117118019
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637432
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine (CID 106637313) is N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine is CC(C)N(Cc1cccc(F)c1Cl)CC1CCCNC1.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The InChIKey is NLHRURUEMBXFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2/c1-12(2)20(10-13-5-4-8-19-9-13)11-14-6-3-7-15(18)16(14)17/h3,6-7,12-13,19H,4-5,8-11H2,1-2H3.
What are the key properties of N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine has a molecular weight of 298.83 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 106637313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).