4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine

C14H23NO — CID 81375675

IUPAC4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
SMILESCOCCC(C)N[C@@H](C)c1ccccc1C
InChIInChI=1S/C14H23NO/c1-11-7-5-6-8-14(11)13(3)15-12(2)9-10-16-4/h5-8,12-13,15H,9-10H2,1-4H3/t12?,13-/m0/s1
InChIKeyAPFNXYNVDURTLF-ABLWVSNPSA-N
MW221.34 g/mol
LogP3.07
Rot. Bonds6

About 4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine

4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine (PubChem CID 81375675) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
PubChem CID81375675
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
SMILESCOCCC(C)N[C@@H](C)c1ccccc1C
InChIInChI=1S/C14H23NO/c1-11-7-5-6-8-14(11)13(3)15-12(2)9-10-16-4/h5-8,12-13,15H,9-10H2,1-4H3/t12?,13-/m0/s1
InChIKeyAPFNXYNVDURTLF-ABLWVSNPSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
CID 81373170
1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81373255
N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454
N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 81374312
N-[1-(2-methylphenyl)ethyl]heptan-2-amine
CID 43109011
N-[1-(2-methylphenyl)ethyl]octan-2-amine
CID 43129972
N-[1-(2-methylphenyl)ethyl]nonan-2-amine
CID 43129973
N-[1-(2-chloro-3-pyridinyl)ethyl]-4-methoxybutan-2-amine
CID 115715554
N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine
CID 81375017
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 104647527
1-(4-methoxyphenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81354714
4-(furan-2-yl)-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81374293

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine?
The IUPAC name of 4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine (CID 81375675) is 4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine.
What is the SMILES notation for 4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine?
The canonical SMILES for 4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine is COCCC(C)N[C@@H](C)c1ccccc1C.
What is the InChIKey of 4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine?
The InChIKey is APFNXYNVDURTLF-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-7-5-6-8-14(11)13(3)15-12(2)9-10-16-4/h5-8,12-13,15H,9-10H2,1-4H3/t12?,13-/m0/s1.
What are the key properties of 4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine?
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine is sourced from PubChem (CID 81375675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).