(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen

C12H18FNO — CID 142361370

IUPAC(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen
SMILESC[C@H](N)c1cc(OCC2CC2)ccc1F.[H][H]
InChIInChI=1S/C12H16FNO.H2/c1-8(14)11-6-10(4-5-12(11)13)15-7-9-2-3-9;/h4-6,8-9H,2-3,7,14H2,1H3;1H/t8-;/m0./s1
InChIKeyCDUZDSBWZXYKRB-QRPNPIFTSA-N
MW211.28 g/mol
LogP2.88
Rot. Bonds4

About (1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen

(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen (PubChem CID 142361370) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is (1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen.

Molecular Properties

Compound Name(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen
PubChem CID142361370
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen
SMILESC[C@H](N)c1cc(OCC2CC2)ccc1F.[H][H]
InChIInChI=1S/C12H16FNO.H2/c1-8(14)11-6-10(4-5-12(11)13)15-7-9-2-3-9;/h4-6,8-9H,2-3,7,14H2,1H3;1H/t8-;/m0./s1
InChIKeyCDUZDSBWZXYKRB-QRPNPIFTSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine
CID 107715743
(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine
CID 55253284
1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride
CID 171689372
2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene
CID 130693986
(1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
CID 126531407
4-(cyclopropylmethoxy)-2-(difluoromethoxy)-1-fluorobenzene
CID 141339892
[4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol
CID 139623977
4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane
CID 142580919
(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine
CID 78947289
(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine
CID 170449741
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide
CID 107716273
4-[(3,4-difluorophenoxy)methyl]piperidine
CID 17178047

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen?
The IUPAC name of (1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen (CID 142361370) is (1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen.
What is the SMILES notation for (1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen?
The canonical SMILES for (1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen is C[C@H](N)c1cc(OCC2CC2)ccc1F.[H][H].
What is the InChIKey of (1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen?
The InChIKey is CDUZDSBWZXYKRB-QRPNPIFTSA-N. The full InChI is InChI=1S/C12H16FNO.H2/c1-8(14)11-6-10(4-5-12(11)13)15-7-9-2-3-9;/h4-6,8-9H,2-3,7,14H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen?
(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen has a molecular weight of 211.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen is sourced from PubChem (CID 142361370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).