(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine

C13H21NO — CID 93345240

IUPAC(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
SMILESCC[C@@H](C)CNCc1cccc(OC)c1
InChIInChI=1S/C13H21NO/c1-4-11(2)9-14-10-12-6-5-7-13(8-12)15-3/h5-8,11,14H,4,9-10H2,1-3H3/t11-/m1/s1
InChIKeyRDILZAKXNUEOFM-LLVKDONJSA-N
MW207.32 g/mol
LogP2.83
Rot. Bonds6

About (2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine

(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine (PubChem CID 93345240) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
PubChem CID93345240
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
SMILESCC[C@@H](C)CNCc1cccc(OC)c1
InChIInChI=1S/C13H21NO/c1-4-11(2)9-14-10-12-6-5-7-13(8-12)15-3/h5-8,11,14H,4,9-10H2,1-3H3/t11-/m1/s1
InChIKeyRDILZAKXNUEOFM-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-[(3-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-[(3-methoxyphenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60956731
1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205422
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
3-chloro-N-[(3-methoxyphenyl)methyl]butan-1-amine
CID 65024523
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721134
3-[(2-methylbutylamino)methyl]phenol
CID 62694321
N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
CID 61400861
1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60632107
1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol
CID 63294606
ethyl 2-chloro-3-[(3-methoxyphenyl)methylamino]propanoate
CID 121473132
1-(2-ethoxyethoxy)-3-[(3-methoxyphenyl)methylamino]propan-2-ol
CID 60632288
N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588789

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine?
The IUPAC name of (2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine (CID 93345240) is (2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for (2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for (2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine is CC[C@@H](C)CNCc1cccc(OC)c1.
What is the InChIKey of (2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine?
The InChIKey is RDILZAKXNUEOFM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11(2)9-14-10-12-6-5-7-13(8-12)15-3/h5-8,11,14H,4,9-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine?
(2R)-N-[(3-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-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 93345240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).