N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine

C14H21FN2 — CID 55244427

IUPACN-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine
SMILESCCN(Cc1ccc(C)c(F)c1)C1CCNC1
InChIInChI=1S/C14H21FN2/c1-3-17(13-6-7-16-9-13)10-12-5-4-11(2)14(15)8-12/h4-5,8,13,16H,3,6-7,9-10H2,1-2H3
InChIKeyLTAUNZFCCHJNJU-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.32
Rot. Bonds4

About N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine

N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 55244427) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine
PubChem CID55244427
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine
SMILESCCN(Cc1ccc(C)c(F)c1)C1CCNC1
InChIInChI=1S/C14H21FN2/c1-3-17(13-6-7-16-9-13)10-12-5-4-11(2)14(15)8-12/h4-5,8,13,16H,3,6-7,9-10H2,1-2H3
InChIKeyLTAUNZFCCHJNJU-UHFFFAOYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921462
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63299452
N-[(4-bromo-3-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 81436109
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine
CID 63636373
N-[(4-bromo-3-fluorophenyl)methyl]-N-ethylazetidin-3-amine
CID 81437386
N-[(3-fluoro-4-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715680
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204759
5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204949
2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol
CID 107699202
N-[(3-chloro-4-methylphenyl)methyl]-N-ethylazepan-4-amine;hydrochloride
CID 120844817

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine (CID 55244427) is N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine is CCN(Cc1ccc(C)c(F)c1)C1CCNC1.
What is the InChIKey of N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is LTAUNZFCCHJNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-3-17(13-6-7-16-9-13)10-12-5-4-11(2)14(15)8-12/h4-5,8,13,16H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine?
N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 236.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 55244427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).