(1R,2S)-N,N-dimethyl-1-phenyl-1-propa-1,2-dienoxypropan-2-amine

C14H19NO — CID 11138555

IUPAC(1R,2S)-N,N-dimethyl-1-phenyl-1-propa-1,2-dienoxypropan-2-amine
SMILESC=C=CO[C@H](c1ccccc1)[C@H](C)N(C)C
InChIInChI=1S/C14H19NO/c1-5-11-16-14(12(2)15(3)4)13-9-7-6-8-10-13/h6-12,14H,1H2,2-4H3/t12-,14-/m0/s1
InChIKeyIQMJTUWMNKRJPE-JSGCOSHPSA-N
MW217.31 g/mol
LogP2.99
Rot. Bonds5

About (1R,2S)-N,N-dimethyl-1-phenyl-1-propa-1,2-dienoxypropan-2-amine

(1R,2S)-N,N-dimethyl-1-phenyl-1-propa-1,2-dienoxypropan-2-amine (PubChem CID 11138555) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1R,2S)-N,N-dimethyl-1-phenyl-1-propa-1,2-dienoxypropan-2-amine.

Molecular Properties

Compound Name(1R,2S)-N,N-dimethyl-1-phenyl-1-propa-1,2-dienoxypropan-2-amine
PubChem CID11138555
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1R,2S)-N,N-dimethyl-1-phenyl-1-propa-1,2-dienoxypropan-2-amine
SMILESC=C=CO[C@H](c1ccccc1)[C@H](C)N(C)C
InChIInChI=1S/C14H19NO/c1-5-11-16-14(12(2)15(3)4)13-9-7-6-8-10-13/h6-12,14H,1H2,2-4H3/t12-,14-/m0/s1
InChIKeyIQMJTUWMNKRJPE-JSGCOSHPSA-N
XLogP2.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(1S,2S)-2-(dimethylamino)-1-phenylpropyl] N,N'-di(propan-2-yl)carbamimidate
CID 11120307
N-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide
CID 145356517
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
(1S,2R)-1-[[(3aR,7aR)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]-N,N-dimethyl-1-phenylpropan-2-amine
CID 15142991
(1R)-1-[(1R,2R)-2-methoxy-1,2-diphenylethoxy]-N,N-dimethylethanamine
CID 139888708
(3S,4S)-4-(dimethylamino)-3-phenylpentanenitrile
CID 102152439
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
cumene;N,N-dimethylmethanamine;methane;yttrium
CID 158169650
(1S,2S)-N-methyl-1-phenyl-N-trimethylsilyl-1-trimethylsilyloxypropan-2-amine
CID 102239963
cumene;methane;molecular iodine
CID 161218326

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-N,N-dimethyl-1-phenyl-1-propa-1,2-dienoxypropan-2-amine?
The IUPAC name of (1R,2S)-N,N-dimethyl-1-phenyl-1-propa-1,2-dienoxypropan-2-amine (CID 11138555) is (1R,2S)-N,N-dimethyl-1-phenyl-1-propa-1,2-dienoxypropan-2-amine.
What is the SMILES notation for (1R,2S)-N,N-dimethyl-1-phenyl-1-propa-1,2-dienoxypropan-2-amine?
The canonical SMILES for (1R,2S)-N,N-dimethyl-1-phenyl-1-propa-1,2-dienoxypropan-2-amine is C=C=CO[C@H](c1ccccc1)[C@H](C)N(C)C.
What is the InChIKey of (1R,2S)-N,N-dimethyl-1-phenyl-1-propa-1,2-dienoxypropan-2-amine?
The InChIKey is IQMJTUWMNKRJPE-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-11-16-14(12(2)15(3)4)13-9-7-6-8-10-13/h6-12,14H,1H2,2-4H3/t12-,14-/m0/s1.
What are the key properties of (1R,2S)-N,N-dimethyl-1-phenyl-1-propa-1,2-dienoxypropan-2-amine?
(1R,2S)-N,N-dimethyl-1-phenyl-1-propa-1,2-dienoxypropan-2-amine has a molecular weight of 217.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-N,N-dimethyl-1-phenyl-1-propa-1,2-dienoxypropan-2-amine is sourced from PubChem (CID 11138555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).