N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine

C13H21NO — CID 92983672

IUPACN-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine
SMILESCCNCc1ccccc1O[C@H](C)CC
InChIInChI=1S/C13H21NO/c1-4-11(3)15-13-9-7-6-8-12(13)10-14-5-2/h6-9,11,14H,4-5,10H2,1-3H3/t11-/m1/s1
InChIKeyNYCAHJCRVKCLDY-LLVKDONJSA-N
MW207.32 g/mol
LogP2.97
Rot. Bonds6

About N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine

N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine (PubChem CID 92983672) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine
PubChem CID92983672
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine
SMILESCCNCc1ccccc1O[C@H](C)CC
InChIInChI=1S/C13H21NO/c1-4-11(3)15-13-9-7-6-8-12(13)10-14-5-2/h6-9,11,14H,4-5,10H2,1-3H3/t11-/m1/s1
InChIKeyNYCAHJCRVKCLDY-LLVKDONJSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine 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

1-butan-2-yloxy-2-ethylbenzene
CID 64763289
N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848917
ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate
CID 64669299
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 95167614
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]ethanamine
CID 43505535
2-[2-(ethylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 43277213
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
ethyl 2-(2-butan-2-yloxyphenyl)acetate
CID 152870971
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
N-[[2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]phenyl]methyl]ethanamine
CID 66274881
N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62265523
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine (CID 92983672) is N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine is CCNCc1ccccc1O[C@H](C)CC.
What is the InChIKey of N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine?
The InChIKey is NYCAHJCRVKCLDY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11(3)15-13-9-7-6-8-12(13)10-14-5-2/h6-9,11,14H,4-5,10H2,1-3H3/t11-/m1/s1.
What are the key properties of N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine?
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine is sourced from PubChem (CID 92983672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).