(2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine

C13H21NO — CID 42077610

IUPAC(2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine
SMILESCOc1ccc(C(C)(C)C[C@@H](C)N)cc1
InChIInChI=1S/C13H21NO/c1-10(14)9-13(2,3)11-5-7-12(15-4)8-6-11/h5-8,10H,9,14H2,1-4H3/t10-/m1/s1
InChIKeyRJQAOYMXVHHSTK-SNVBAGLBSA-N
MW207.32 g/mol
LogP2.71
Rot. Bonds4

About (2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine

(2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine (PubChem CID 42077610) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine
PubChem CID42077610
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine
SMILESCOc1ccc(C(C)(C)C[C@@H](C)N)cc1
InChIInChI=1S/C13H21NO/c1-10(14)9-13(2,3)11-5-7-12(15-4)8-6-11/h5-8,10H,9,14H2,1-4H3/t10-/m1/s1
InChIKeyRJQAOYMXVHHSTK-SNVBAGLBSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene
CID 121309447
3-fluoro-3-(4-methoxyphenyl)butan-2-amine
CID 105450720
1-methoxy-4-(2,4,4,5-tetramethylhexan-2-yl)benzene;molecular hydrogen
CID 169244541
2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine
CID 135349838
(2R)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 134991044
(2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 58794752
1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene
CID 633671
3-(4-methoxyphenyl)-3-methylbutanamide
CID 50995659
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
(2S)-1-(4-methoxyphenoxy)propan-2-amine
CID 7263362
1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine
CID 22486859
4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine
CID 115624966

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine?
The IUPAC name of (2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine (CID 42077610) is (2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine.
What is the SMILES notation for (2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine?
The canonical SMILES for (2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine is COc1ccc(C(C)(C)C[C@@H](C)N)cc1.
What is the InChIKey of (2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine?
The InChIKey is RJQAOYMXVHHSTK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(14)9-13(2,3)11-5-7-12(15-4)8-6-11/h5-8,10H,9,14H2,1-4H3/t10-/m1/s1.
What are the key properties of (2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine?
(2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine is sourced from PubChem (CID 42077610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).