1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]methanamine

C18H25FN2O — CID 66776109

IUPAC1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]methanamine
SMILESFc1ccc(CNCC2C3CNCC23)cc1OC1CCCC1
InChIInChI=1S/C18H25FN2O/c19-17-6-5-12(7-18(17)22-13-3-1-2-4-13)8-20-9-14-15-10-21-11-16(14)15/h5-7,13-16,20-21H,1-4,8-11H2
InChIKeyMRYUKDGQUVQINZ-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.70
Rot. Bonds6

About 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]methanamine

1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]methanamine (PubChem CID 66776109) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]methanamine
PubChem CID66776109
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]methanamine
SMILESFc1ccc(CNCC2C3CNCC23)cc1OC1CCCC1
InChIInChI=1S/C18H25FN2O/c19-17-6-5-12(7-18(17)22-13-3-1-2-4-13)8-20-9-14-15-10-21-11-16(14)15/h5-7,13-16,20-21H,1-4,8-11H2
InChIKeyMRYUKDGQUVQINZ-UHFFFAOYSA-N
XLogP2.70
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]methanamine with MolForge

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Related Compounds

N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine
CID 107687057
1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(4-phenylphenyl)methyl]methanamine
CID 66775578
2-cyclobutyloxy-1,4-difluorobenzene
CID 130038404
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
CID 43278175
4-bromo-2-cyclohexyloxy-1-fluorobenzene
CID 114672606
N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 107688391
4-(2,5-difluorophenoxy)azepane
CID 63905212
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine
CID 63045514
N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 63423058
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine
CID 63045521
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290

Frequently Asked Questions

What is the IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]methanamine?
The IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]methanamine (CID 66776109) is 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]methanamine is Fc1ccc(CNCC2C3CNCC23)cc1OC1CCCC1.
What is the InChIKey of 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]methanamine?
The InChIKey is MRYUKDGQUVQINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-17-6-5-12(7-18(17)22-13-3-1-2-4-13)8-20-9-14-15-10-21-11-16(14)15/h5-7,13-16,20-21H,1-4,8-11H2.
What are the key properties of 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]methanamine?
1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]methanamine has a molecular weight of 304.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]methanamine is sourced from PubChem (CID 66776109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).