N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine

C15H22FNO — CID 65101606

IUPACN-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(C2CC2CNCC(C)C)cc1F
InChIInChI=1S/C15H22FNO/c1-10(2)8-17-9-12-6-13(12)11-4-5-15(18-3)14(16)7-11/h4-5,7,10,12-13,17H,6,8-9H2,1-3H3
InChIKeyRDOUBGXBSYMGNU-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.18
Rot. Bonds6

About N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine

N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 65101606) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID65101606
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(C2CC2CNCC(C)C)cc1F
InChIInChI=1S/C15H22FNO/c1-10(2)8-17-9-12-6-13(12)11-4-5-15(18-3)14(16)7-11/h4-5,7,10,12-13,17H,6,8-9H2,1-3H3
InChIKeyRDOUBGXBSYMGNU-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027732
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 65101607
N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62714240
N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81023599
N-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62713176
N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712268
1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81018324
N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712637
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine
CID 55210303
2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 20792250
2-methyl-N-[(2-thiophen-3-ylcyclopropyl)methyl]propan-1-amine
CID 62712093

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine (CID 65101606) is N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine is COc1ccc(C2CC2CNCC(C)C)cc1F.
What is the InChIKey of N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is RDOUBGXBSYMGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10(2)8-17-9-12-6-13(12)11-4-5-15(18-3)14(16)7-11/h4-5,7,10,12-13,17H,6,8-9H2,1-3H3.
What are the key properties of N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65101606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).