1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine

C13H21NO2 — CID 81351773

IUPAC1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine
SMILESCOC(OC)C(C)N[C@H](C)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-10(12-8-6-5-7-9-12)14-11(2)13(15-3)16-4/h5-11,13-14H,1-4H3/t10-,11?/m1/s1
InChIKeySAHUEXWDCUAPQH-NFJWQWPMSA-N
MW223.32 g/mol
LogP2.34
Rot. Bonds6

About 1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine

1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine (PubChem CID 81351773) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine
PubChem CID81351773
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine
SMILESCOC(OC)C(C)N[C@H](C)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-10(12-8-6-5-7-9-12)14-11(2)13(15-3)16-4/h5-11,13-14H,1-4H3/t10-,11?/m1/s1
InChIKeySAHUEXWDCUAPQH-NFJWQWPMSA-N
XLogP2.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-1,1-dimethoxypropan-2-amine
CID 81360171
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
3-ethyl-N-(1-phenylethyl)pentan-2-amine
CID 63843790
N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
CID 22831491
(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol
CID 118706367
(2S,3S)-2-methyl-3-(1-phenylethylamino)butanoic acid
CID 70280028
methyl (2S)-3-methyl-2-(1-phenylethylamino)butanoate
CID 43386362
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine
CID 81350765
1-methoxy-N-[methoxy(phenyl)methyl]-1-phenylmethanamine
CID 22278186
4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine
CID 81351575
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine?
The IUPAC name of 1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine (CID 81351773) is 1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine.
What is the SMILES notation for 1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine?
The canonical SMILES for 1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine is COC(OC)C(C)N[C@H](C)c1ccccc1.
What is the InChIKey of 1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine?
The InChIKey is SAHUEXWDCUAPQH-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(12-8-6-5-7-9-12)14-11(2)13(15-3)16-4/h5-11,13-14H,1-4H3/t10-,11?/m1/s1.
What are the key properties of 1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine?
1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine is sourced from PubChem (CID 81351773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).