N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine

C14H23NO — CID 81396737

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine
SMILESCOc1ccccc1[C@@H](C)NCC(C)(C)C
InChIInChI=1S/C14H23NO/c1-11(15-10-14(2,3)4)12-8-6-7-9-13(12)16-5/h6-9,11,15H,10H2,1-5H3/t11-/m1/s1
InChIKeyCMEXIDWFEHKUER-LLVKDONJSA-N
MW221.34 g/mol
LogP3.39
Rot. Bonds4

About N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine (PubChem CID 81396737) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine
PubChem CID81396737
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine
SMILESCOc1ccccc1[C@@H](C)NCC(C)(C)C
InChIInChI=1S/C14H23NO/c1-11(15-10-14(2,3)4)12-8-6-7-9-13(12)16-5/h6-9,11,15H,10H2,1-5H3/t11-/m1/s1
InChIKeyCMEXIDWFEHKUER-LLVKDONJSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239100
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol
CID 104930543
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81389941
methyl 2-hydroxy-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 104644838
2-ethyl-N-[1-(2-methoxyphenyl)ethyl]-2-methylsulfanylbutan-1-amine
CID 103787189
N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
CID 43731154
N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166997
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81377388
N-[1-(2-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61168179
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
3,3,3-trifluoro-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81397407

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine (CID 81396737) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine is COc1ccccc1[C@@H](C)NCC(C)(C)C.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine?
The InChIKey is CMEXIDWFEHKUER-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(15-10-14(2,3)4)12-8-6-7-9-13(12)16-5/h6-9,11,15H,10H2,1-5H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 81396737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).