N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C18H20FNO — CID 114838359

IUPACN-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCOc1cc(NC2CCCCc3ccccc32)ccc1F
InChIInChI=1S/C18H20FNO/c1-21-18-12-14(10-11-16(18)19)20-17-9-5-3-7-13-6-2-4-8-15(13)17/h2,4,6,8,10-12,17,20H,3,5,7,9H2,1H3
InChIKeyDFYVDAOTYZHJBC-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.71
Rot. Bonds3

About N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 114838359) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID114838359
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCOc1cc(NC2CCCCc3ccccc32)ccc1F
InChIInChI=1S/C18H20FNO/c1-21-18-12-14(10-11-16(18)19)20-17-9-5-3-7-13-6-2-4-8-15(13)17/h2,4,6,8,10-12,17,20H,3,5,7,9H2,1H3
InChIKeyDFYVDAOTYZHJBC-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4,5-trifluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63477361
2-fluoro-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)benzonitrile
CID 63476587
N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43119146
N-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 114838892
1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682716
N-(3-iodo-4-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43716262
N-(5-chloro-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43438379
2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 114837645
2-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 115485174
N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79054379
N-(4-fluoro-3-methylphenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62810888
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43105442

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 114838359) is N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is COc1cc(NC2CCCCc3ccccc32)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is DFYVDAOTYZHJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-21-18-12-14(10-11-16(18)19)20-17-9-5-3-7-13-6-2-4-8-15(13)17/h2,4,6,8,10-12,17,20H,3,5,7,9H2,1H3.
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 285.36 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 114838359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).