N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine

C19H22ClFN2 — CID 75854273

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
SMILESFc1cccc(Cl)c1CNCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C19H22ClFN2/c20-17-9-6-10-18(21)16(17)13-22-14-19(23-11-4-5-12-23)15-7-2-1-3-8-15/h1-3,6-10,19,22H,4-5,11-14H2
InChIKeyMJRTYGCKQALHRE-UHFFFAOYSA-N
MW332.85 g/mol
LogP4.41
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine

N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine (PubChem CID 75854273) has the molecular formula C19H22ClFN2 and a molecular weight of 332.85 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
PubChem CID75854273
Molecular FormulaC19H22ClFN2
Molecular Weight332.85 g/mol
Exact Mass332.15
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
SMILESFc1cccc(Cl)c1CNCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C19H22ClFN2/c20-17-9-6-10-18(21)16(17)13-22-14-19(23-11-4-5-12-23)15-7-2-1-3-8-15/h1-3,6-10,19,22H,4-5,11-14H2
InChIKeyMJRTYGCKQALHRE-UHFFFAOYSA-N
XLogP4.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 110826413
N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine
CID 115405686
N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
CID 120509260
N-(furan-2-ylmethyl)-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180875
N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135
4-[[[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]methyl]benzoic acid
CID 122030279
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine
CID 131938718
N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 86918988
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 75854274
3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82045257

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine (CID 75854273) is N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine is Fc1cccc(Cl)c1CNCC(c1ccccc1)N1CCCC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is MJRTYGCKQALHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2/c20-17-9-6-10-18(21)16(17)13-22-14-19(23-11-4-5-12-23)15-7-2-1-3-8-15/h1-3,6-10,19,22H,4-5,11-14H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 332.85 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 75854273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).