(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine

C26H34N2 — CID 87223086

IUPAC(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
SMILESC#CCN(C)[C@H](C)Cc1ccccc1.C#CCN(C)[C@H](C)Cc1ccccc1
InChIInChI=1S/2C13H17N/c2*1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h2*1,5-9,12H,10-11H2,2-3H3/t2*12-/m11/s1
InChIKeyMCXXBSFFSSOXQD-FUKRVRFJSA-N
MW374.57 g/mol
LogP4.37
Rot. Bonds8

About (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine

(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine (PubChem CID 87223086) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
PubChem CID87223086
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC Name(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
SMILESC#CCN(C)[C@H](C)Cc1ccccc1.C#CCN(C)[C@H](C)Cc1ccccc1
InChIInChI=1S/2C13H17N/c2*1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h2*1,5-9,12H,10-11H2,2-3H3/t2*12-/m11/s1
InChIKeyMCXXBSFFSSOXQD-FUKRVRFJSA-N
XLogP4.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine chloride
CID 45114220
(2S)-1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine
CID 14771956
bis(1,1-dideuterio-N-methyl-N-[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-amine);hydrochloride
CID 159530490
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol
CID 76605629
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87600437
(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine
CID 87517815
N-[(2S)-1-phenylpropan-2-yl]-N-prop-2-ynylcarbamoyl chloride
CID 10823679
[(2R)-2-[prop-2-ynyl(sulfino)amino]propyl]benzene
CID 175784116
4-[2-[prop-2-ynyl(trideuteriomethyl)amino]propyl]aniline
CID 71313195
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188
N-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine
CID 110174057

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine?
The IUPAC name of (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine (CID 87223086) is (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine.
What is the SMILES notation for (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine?
The canonical SMILES for (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine is C#CCN(C)[C@H](C)Cc1ccccc1.C#CCN(C)[C@H](C)Cc1ccccc1.
What is the InChIKey of (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine?
The InChIKey is MCXXBSFFSSOXQD-FUKRVRFJSA-N. The full InChI is InChI=1S/2C13H17N/c2*1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h2*1,5-9,12H,10-11H2,2-3H3/t2*12-/m11/s1.
What are the key properties of (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine?
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine has a molecular weight of 374.57 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine is sourced from PubChem (CID 87223086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).