(1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine

C15H24N2O — CID 114066342

IUPAC(1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C15H24N2O/c1-4-15(16)13-5-7-14(8-6-13)17-9-11(2)18-12(3)10-17/h5-8,11-12,15H,4,9-10,16H2,1-3H3/t11-,12+,15-/m0/s1
InChIKeyNDTPNVPEUYNSCV-ZOWXZIJZSA-N
MW248.37 g/mol
LogP2.71
Rot. Bonds3

About (1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine

(1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine (PubChem CID 114066342) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine
PubChem CID114066342
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C15H24N2O/c1-4-15(16)13-5-7-14(8-6-13)17-9-11(2)18-12(3)10-17/h5-8,11-12,15H,4,9-10,16H2,1-3H3/t11-,12+,15-/m0/s1
InChIKeyNDTPNVPEUYNSCV-ZOWXZIJZSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine
CID 114066341
1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 114065989
2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine
CID 76587760
1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 103693302
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol
CID 43505904
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 113242060
(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
CID 93023320
[4-(2,6-dimethylmorpholin-4-yl)phenyl]methanol
CID 43121035
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine
CID 93007627
1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine
CID 114066337

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine (CID 114066342) is (1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine is CC[C@H](N)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of (1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine?
The InChIKey is NDTPNVPEUYNSCV-ZOWXZIJZSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-15(16)13-5-7-14(8-6-13)17-9-11(2)18-12(3)10-17/h5-8,11-12,15H,4,9-10,16H2,1-3H3/t11-,12+,15-/m0/s1.
What are the key properties of (1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine?
(1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine is sourced from PubChem (CID 114066342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).