N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine

C15H23FN2 — CID 62580001

IUPACN-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN1Cc1ccc(F)cc1
InChIInChI=1S/C15H23FN2/c1-12(2)17-10-15-4-3-9-18(15)11-13-5-7-14(16)8-6-13/h5-8,12,15,17H,3-4,9-11H2,1-2H3
InChIKeyKUOYEIPEBMFKFG-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.79
Rot. Bonds5

About N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine

N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine (PubChem CID 62580001) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
PubChem CID62580001
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN1Cc1ccc(F)cc1
InChIInChI=1S/C15H23FN2/c1-12(2)17-10-15-4-3-9-18(15)11-13-5-7-14(16)8-6-13/h5-8,12,15,17H,3-4,9-11H2,1-2H3
InChIKeyKUOYEIPEBMFKFG-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581090
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581623
N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 114346179
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581436
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580182
2-fluoro-5-[[2-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]benzonitrile
CID 107887854
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593449
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
N-[[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580367
N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 65317396
N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581089

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine (CID 62580001) is N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine is CC(C)NCC1CCCN1Cc1ccc(F)cc1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine?
The InChIKey is KUOYEIPEBMFKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12(2)17-10-15-4-3-9-18(15)11-13-5-7-14(16)8-6-13/h5-8,12,15,17H,3-4,9-11H2,1-2H3.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine?
N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine has a molecular weight of 250.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62580001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).