N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine

C15H23FN2 — CID 62512455

IUPACN-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(C)c2cccc(F)c2)C1
InChIInChI=1S/C15H23FN2/c1-3-17-10-13-7-8-18(11-13)12(2)14-5-4-6-15(16)9-14/h4-6,9,12-13,17H,3,7-8,10-11H2,1-2H3
InChIKeyWOXUOSCXZDXXHB-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.82
Rot. Bonds5

About N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine

N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 62512455) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
PubChem CID62512455
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(C)c2cccc(F)c2)C1
InChIInChI=1S/C15H23FN2/c1-3-17-10-13-7-8-18(11-13)12(2)14-5-4-6-15(16)9-14/h4-6,9,12-13,17H,3,7-8,10-11H2,1-2H3
InChIKeyWOXUOSCXZDXXHB-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928208
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512457
N-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512123
N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine
CID 81493286
(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677617
N-methyl-1-[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922236
N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine
CID 119927809
2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728173
5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol
CID 107707674
1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine
CID 64570224
2-(3-fluorophenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119538803
1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263345

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine (CID 62512455) is N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(C(C)c2cccc(F)c2)C1.
What is the InChIKey of N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is WOXUOSCXZDXXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-17-10-13-7-8-18(11-13)12(2)14-5-4-6-15(16)9-14/h4-6,9,12-13,17H,3,7-8,10-11H2,1-2H3.
What are the key properties of N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62512455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).