N-[2-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethyl]propan-2-amine

C18H30N2O — CID 104961046

IUPACN-[2-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C18H30N2O/c1-14(2)19-10-9-17-7-5-6-8-18(17)13-20-11-15(3)21-16(4)12-20/h5-8,14-16,19H,9-13H2,1-4H3/t15-,16+
InChIKeyFSRGXNHOEBRQMQ-IYBDPMFKSA-N
MW290.45 g/mol
LogP2.84
Rot. Bonds6

About N-[2-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethyl]propan-2-amine

N-[2-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethyl]propan-2-amine (PubChem CID 104961046) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[2-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethyl]propan-2-amine
PubChem CID104961046
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[2-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C18H30N2O/c1-14(2)19-10-9-17-7-5-6-8-18(17)13-20-11-15(3)21-16(4)12-20/h5-8,14-16,19H,9-13H2,1-4H3/t15-,16+
InChIKeyFSRGXNHOEBRQMQ-IYBDPMFKSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethyl]propan-2-amine (CID 104961046) is N-[2-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethyl]propan-2-amine is CC(C)NCCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of N-[2-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethyl]propan-2-amine?
The InChIKey is FSRGXNHOEBRQMQ-IYBDPMFKSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)19-10-9-17-7-5-6-8-18(17)13-20-11-15(3)21-16(4)12-20/h5-8,14-16,19H,9-13H2,1-4H3/t15-,16+.
What are the key properties of N-[2-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethyl]propan-2-amine?
N-[2-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethyl]propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 104961046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).