(8-fluoro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine

C15H21FN2O — CID 82246679

IUPAC(8-fluoro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
SMILESNCC1(N2CCCC2)CCCOc2cc(F)ccc21
InChIInChI=1S/C15H21FN2O/c16-12-4-5-13-14(10-12)19-9-3-6-15(13,11-17)18-7-1-2-8-18/h4-5,10H,1-3,6-9,11,17H2
InChIKeySRCZCFITUIQSJC-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.25
Rot. Bonds2

About (8-fluoro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine

(8-fluoro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine (PubChem CID 82246679) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (8-fluoro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine.

Molecular Properties

Compound Name(8-fluoro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
PubChem CID82246679
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(8-fluoro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
SMILESNCC1(N2CCCC2)CCCOc2cc(F)ccc21
InChIInChI=1S/C15H21FN2O/c16-12-4-5-13-14(10-12)19-9-3-6-15(13,11-17)18-7-1-2-8-18/h4-5,10H,1-3,6-9,11,17H2
InChIKeySRCZCFITUIQSJC-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-5-piperidin-1-yl-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
CID 82247937
(7-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
CID 82248393
[9-fluoro-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzoxepin-5-yl]methanamine
CID 82251173
8-fluoro-5-hydroxy-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
CID 82241492
5-(dimethylamino)-8-fluoro-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
CID 82243199
2-[4-(aminomethyl)-7-fluoro-2,3-dihydrochromen-4-yl]acetic acid
CID 83912454
(8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
CID 82250689
7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 18354311
[1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine
CID 117113346
2-[4-(aminomethyl)-6-fluoro-2,3-dihydrochromen-4-yl]acetic acid
CID 83912453
[1-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)cyclopentyl]methanamine
CID 117417446
[1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine
CID 117371101

Frequently Asked Questions

What is the IUPAC name of (8-fluoro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine?
The IUPAC name of (8-fluoro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine (CID 82246679) is (8-fluoro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine.
What is the SMILES notation for (8-fluoro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine?
The canonical SMILES for (8-fluoro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine is NCC1(N2CCCC2)CCCOc2cc(F)ccc21.
What is the InChIKey of (8-fluoro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine?
The InChIKey is SRCZCFITUIQSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-12-4-5-13-14(10-12)19-9-3-6-15(13,11-17)18-7-1-2-8-18/h4-5,10H,1-3,6-9,11,17H2.
What are the key properties of (8-fluoro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine?
(8-fluoro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine has a molecular weight of 264.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine is sourced from PubChem (CID 82246679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).