N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C17H25FN2O — CID 106616062

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCN1)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H25FN2O/c1-2-8-20(11-15-4-3-7-19-15)12-16-10-13-9-14(18)5-6-17(13)21-16/h5-6,9,15-16,19H,2-4,7-8,10-12H2,1H3
InChIKeyRQFUXDFFQKQCAJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.59
Rot. Bonds6

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106616062) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106616062
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCN1)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H25FN2O/c1-2-8-20(11-15-4-3-7-19-15)12-16-10-13-9-14(18)5-6-17(13)21-16/h5-6,9,15-16,19H,2-4,7-8,10-12H2,1H3
InChIKeyRQFUXDFFQKQCAJ-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106636121
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine
CID 66361100
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpiperidin-3-amine
CID 66365889
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623577
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615580
N-[(2-bromo-4-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615968
4-fluoro-2-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106636161
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615599
2-[carboxymethyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid
CID 66363950
2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol
CID 102870121
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604004
N-(pyrrolidin-2-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 106603917

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106616062) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCCN(CC1CCCN1)CC1Cc2cc(F)ccc2O1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is RQFUXDFFQKQCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-2-8-20(11-15-4-3-7-19-15)12-16-10-13-9-14(18)5-6-17(13)21-16/h5-6,9,15-16,19H,2-4,7-8,10-12H2,1H3.
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 292.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106616062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).