(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine

C13H21NO — CID 28612668

IUPAC(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
SMILESCC[C@@H](C)CNCc1ccccc1OC
InChIInChI=1S/C13H21NO/c1-4-11(2)9-14-10-12-7-5-6-8-13(12)15-3/h5-8,11,14H,4,9-10H2,1-3H3/t11-/m1/s1
InChIKeySICKYNGVKOGZED-LLVKDONJSA-N
MW207.32 g/mol
LogP2.83
Rot. Bonds6

About (2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine

(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine (PubChem CID 28612668) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
PubChem CID28612668
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
SMILESCC[C@@H](C)CNCc1ccccc1OC
InChIInChI=1S/C13H21NO/c1-4-11(2)9-14-10-12-7-5-6-8-13(12)15-3/h5-8,11,14H,4,9-10H2,1-3H3/t11-/m1/s1
InChIKeySICKYNGVKOGZED-LLVKDONJSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 104791777
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78910443
2-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbutanenitrile
CID 115254514
3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119767
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine
CID 93316989
methyl 2-[(2-methylbutylamino)methyl]benzoate
CID 62693703
2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 115120623
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267
1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate
CID 82533086
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine
CID 83960655
1-methoxy-2-[(3R)-3-methylpentyl]benzene
CID 142086575

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine?
The IUPAC name of (2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine (CID 28612668) is (2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for (2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for (2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine is CC[C@@H](C)CNCc1ccccc1OC.
What is the InChIKey of (2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine?
The InChIKey is SICKYNGVKOGZED-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11(2)9-14-10-12-7-5-6-8-13(12)15-3/h5-8,11,14H,4,9-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine?
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 28612668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).