(1S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine

C17H18FNO — CID 58035584

IUPAC(1S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine
SMILESCOc1ccc(F)cc1CN[C@H]1CC1c1ccccc1
InChIInChI=1S/C17H18FNO/c1-20-17-8-7-14(18)9-13(17)11-19-16-10-15(16)12-5-3-2-4-6-12/h2-9,15-16,19H,10-11H2,1H3/t15?,16-/m0/s1
InChIKeyWJVKDHOQCXETMR-LYKKTTPLSA-N
MW271.34 g/mol
LogP3.48
Rot. Bonds5

About (1S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine

(1S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 58035584) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is (1S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID58035584
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name(1S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine
SMILESCOc1ccc(F)cc1CN[C@H]1CC1c1ccccc1
InChIInChI=1S/C17H18FNO/c1-20-17-8-7-14(18)9-13(17)11-19-16-10-15(16)12-5-3-2-4-6-12/h2-9,15-16,19H,10-11H2,1H3/t15?,16-/m0/s1
InChIKeyWJVKDHOQCXETMR-LYKKTTPLSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of (1S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine (CID 58035584) is (1S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (1S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for (1S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine is COc1ccc(F)cc1CN[C@H]1CC1c1ccccc1.
What is the InChIKey of (1S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is WJVKDHOQCXETMR-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H18FNO/c1-20-17-8-7-14(18)9-13(17)11-19-16-10-15(16)12-5-3-2-4-6-12/h2-9,15-16,19H,10-11H2,1H3/t15?,16-/m0/s1.
What are the key properties of (1S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine?
(1S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 271.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 58035584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).