N-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C15H16FNO — CID 113315138

IUPACN-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCc1ccc(F)c(NC2CCCc3occc32)c1
InChIInChI=1S/C15H16FNO/c1-10-5-6-12(16)14(9-10)17-13-3-2-4-15-11(13)7-8-18-15/h5-9,13,17H,2-4H2,1H3
InChIKeyYYPBWVBDMPFQIE-UHFFFAOYSA-N
MW245.30 g/mol
LogP4.22
Rot. Bonds2

About N-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 113315138) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID113315138
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC NameN-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCc1ccc(F)c(NC2CCCc3occc32)c1
InChIInChI=1S/C15H16FNO/c1-10-5-6-12(16)14(9-10)17-13-3-2-4-15-11(13)7-8-18-15/h5-9,13,17H,2-4H2,1H3
InChIKeyYYPBWVBDMPFQIE-UHFFFAOYSA-N
XLogP4.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315137
3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
CID 115466263
2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol
CID 106954243
N-(2,3,4,5,6-pentafluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115564206
N-(2,4-difluoro-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466227
N-(2-fluoro-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466444
N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466063
N-(4-chloro-2-methoxy-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465900
N-(2-chloro-4,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466185
N-[(1S)-1-(4-methylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466604
N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465919
N-[(2-methoxy-5-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43431605

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 113315138) is N-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is Cc1ccc(F)c(NC2CCCc3occc32)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is YYPBWVBDMPFQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-5-6-12(16)14(9-10)17-13-3-2-4-15-11(13)7-8-18-15/h5-9,13,17H,2-4H2,1H3.
What are the key properties of N-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 245.30 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 113315138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).