1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine

C16H22FNO — CID 104794738

IUPAC1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
SMILESCNCC1(Cc2cccc(OC)c2F)CC2CC2C1
InChIInChI=1S/C16H22FNO/c1-18-10-16(8-12-6-13(12)9-16)7-11-4-3-5-14(19-2)15(11)17/h3-5,12-13,18H,6-10H2,1-2H3
InChIKeyKIQYCPFQJBJRJQ-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.01
Rot. Bonds5

About 1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine

1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine (PubChem CID 104794738) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
PubChem CID104794738
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
SMILESCNCC1(Cc2cccc(OC)c2F)CC2CC2C1
InChIInChI=1S/C16H22FNO/c1-18-10-16(8-12-6-13(12)9-16)7-11-4-3-5-14(19-2)15(11)17/h3-5,12-13,18H,6-10H2,1-2H3
InChIKeyKIQYCPFQJBJRJQ-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine with MolForge

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Related Compounds

1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 104794707
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 113453870
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 104794650
1-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoro-3-methoxybenzene
CID 104795473
1-[1-[(2-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66025080
3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine
CID 104795594
[4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 104795426
N-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine
CID 115984266
1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol
CID 104793153
3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol
CID 113453697
1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
CID 114013906
2-[(2-fluoro-3-methoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 104792789

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine (CID 104794738) is 1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine is CNCC1(Cc2cccc(OC)c2F)CC2CC2C1.
What is the InChIKey of 1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine?
The InChIKey is KIQYCPFQJBJRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-18-10-16(8-12-6-13(12)9-16)7-11-4-3-5-14(19-2)15(11)17/h3-5,12-13,18H,6-10H2,1-2H3.
What are the key properties of 1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine?
1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine has a molecular weight of 263.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine is sourced from PubChem (CID 104794738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).