(2S)-N-benzhydryl-N-ethyl-3-fluoro-2-methoxypropan-1-amine

C19H24FNO — CID 155930476

IUPAC(2S)-N-benzhydryl-N-ethyl-3-fluoro-2-methoxypropan-1-amine
SMILESCCN(C[C@@H](CF)OC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24FNO/c1-3-21(15-18(14-20)22-2)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-19H,3,14-15H2,1-2H3/t18-/m1/s1
InChIKeyGQUYJNBCMKHKHY-GOSISDBHSA-N
MW301.41 g/mol
LogP4.08
Rot. Bonds8

About (2S)-N-benzhydryl-N-ethyl-3-fluoro-2-methoxypropan-1-amine

(2S)-N-benzhydryl-N-ethyl-3-fluoro-2-methoxypropan-1-amine (PubChem CID 155930476) has the molecular formula C19H24FNO and a molecular weight of 301.41 g/mol. Its IUPAC name is (2S)-N-benzhydryl-N-ethyl-3-fluoro-2-methoxypropan-1-amine.

Molecular Properties

Compound Name(2S)-N-benzhydryl-N-ethyl-3-fluoro-2-methoxypropan-1-amine
PubChem CID155930476
Molecular FormulaC19H24FNO
Molecular Weight301.41 g/mol
Exact Mass301.18
IUPAC Name(2S)-N-benzhydryl-N-ethyl-3-fluoro-2-methoxypropan-1-amine
SMILESCCN(C[C@@H](CF)OC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24FNO/c1-3-21(15-18(14-20)22-2)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-19H,3,14-15H2,1-2H3/t18-/m1/s1
InChIKeyGQUYJNBCMKHKHY-GOSISDBHSA-N
XLogP4.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzhydryl-N-ethyl-3-fluoro-2-methoxypropan-1-amine?
The IUPAC name of (2S)-N-benzhydryl-N-ethyl-3-fluoro-2-methoxypropan-1-amine (CID 155930476) is (2S)-N-benzhydryl-N-ethyl-3-fluoro-2-methoxypropan-1-amine.
What is the SMILES notation for (2S)-N-benzhydryl-N-ethyl-3-fluoro-2-methoxypropan-1-amine?
The canonical SMILES for (2S)-N-benzhydryl-N-ethyl-3-fluoro-2-methoxypropan-1-amine is CCN(C[C@@H](CF)OC)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-benzhydryl-N-ethyl-3-fluoro-2-methoxypropan-1-amine?
The InChIKey is GQUYJNBCMKHKHY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24FNO/c1-3-21(15-18(14-20)22-2)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-19H,3,14-15H2,1-2H3/t18-/m1/s1.
What are the key properties of (2S)-N-benzhydryl-N-ethyl-3-fluoro-2-methoxypropan-1-amine?
(2S)-N-benzhydryl-N-ethyl-3-fluoro-2-methoxypropan-1-amine has a molecular weight of 301.41 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzhydryl-N-ethyl-3-fluoro-2-methoxypropan-1-amine is sourced from PubChem (CID 155930476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).