(2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine

C13H21NO — CID 97074820

IUPAC(2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine
SMILESCOC[C@@H](C)NCCc1ccc(C)cc1
InChIInChI=1S/C13H21NO/c1-11-4-6-13(7-5-11)8-9-14-12(2)10-15-3/h4-7,12,14H,8-10H2,1-3H3/t12-/m1/s1
InChIKeySNHYSXQBUNWUOC-GFCCVEGCSA-N
MW207.32 g/mol
LogP2.16
Rot. Bonds6

About (2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine

(2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine (PubChem CID 97074820) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine
PubChem CID97074820
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine
SMILESCOC[C@@H](C)NCCc1ccc(C)cc1
InChIInChI=1S/C13H21NO/c1-11-4-6-13(7-5-11)8-9-14-12(2)10-15-3/h4-7,12,14H,8-10H2,1-3H3/t12-/m1/s1
InChIKeySNHYSXQBUNWUOC-GFCCVEGCSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62536445
N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine
CID 115705553
N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine
CID 115705142
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 55089398
N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine
CID 82825096
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine
CID 94473033
1-methoxy-N-methyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-2-amine
CID 105347285

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of (2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine (CID 97074820) is (2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for (2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for (2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine is COC[C@@H](C)NCCc1ccc(C)cc1.
What is the InChIKey of (2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine?
The InChIKey is SNHYSXQBUNWUOC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-4-6-13(7-5-11)8-9-14-12(2)10-15-3/h4-7,12,14H,8-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine?
(2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 97074820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).