N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine

C14H21FN2O — CID 82740352

IUPACN-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine
SMILESCc1cc(N(C)C2CCOC2)c([C@@H](C)N)cc1F
InChIInChI=1S/C14H21FN2O/c1-9-6-14(12(10(2)16)7-13(9)15)17(3)11-4-5-18-8-11/h6-7,10-11H,4-5,8,16H2,1-3H3/t10-,11?/m1/s1
InChIKeyNNXGFCIMVOTZSM-NFJWQWPMSA-N
MW252.33 g/mol
LogP2.38
Rot. Bonds3

About N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine

N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine (PubChem CID 82740352) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine
PubChem CID82740352
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine
SMILESCc1cc(N(C)C2CCOC2)c([C@@H](C)N)cc1F
InChIInChI=1S/C14H21FN2O/c1-9-6-14(12(10(2)16)7-13(9)15)17(3)11-4-5-18-8-11/h6-7,10-11H,4-5,8,16H2,1-3H3/t10-,11?/m1/s1
InChIKeyNNXGFCIMVOTZSM-NFJWQWPMSA-N
XLogP2.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine (CID 82740352) is N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine is Cc1cc(N(C)C2CCOC2)c([C@@H](C)N)cc1F.
What is the InChIKey of N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine?
The InChIKey is NNXGFCIMVOTZSM-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9-6-14(12(10(2)16)7-13(9)15)17(3)11-4-5-18-8-11/h6-7,10-11H,4-5,8,16H2,1-3H3/t10-,11?/m1/s1.
What are the key properties of N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine?
N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine has a molecular weight of 252.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 82740352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).