(2S)-4-(3-ethoxyphenyl)butan-2-amine

C12H19NO — CID 94920485

IUPAC(2S)-4-(3-ethoxyphenyl)butan-2-amine
SMILESCCOc1cccc(CC[C@H](C)N)c1
InChIInChI=1S/C12H19NO/c1-3-14-12-6-4-5-11(9-12)8-7-10(2)13/h4-6,9-10H,3,7-8,13H2,1-2H3/t10-/m0/s1
InChIKeyZZDNYVWZFFPPIU-JTQLQIEISA-N
MW193.29 g/mol
LogP2.37
Rot. Bonds5

About (2S)-4-(3-ethoxyphenyl)butan-2-amine

(2S)-4-(3-ethoxyphenyl)butan-2-amine (PubChem CID 94920485) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S)-4-(3-ethoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name(2S)-4-(3-ethoxyphenyl)butan-2-amine
PubChem CID94920485
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2S)-4-(3-ethoxyphenyl)butan-2-amine
SMILESCCOc1cccc(CC[C@H](C)N)c1
InChIInChI=1S/C12H19NO/c1-3-14-12-6-4-5-11(9-12)8-7-10(2)13/h4-6,9-10H,3,7-8,13H2,1-2H3/t10-/m0/s1
InChIKeyZZDNYVWZFFPPIU-JTQLQIEISA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-(3-ethoxyphenyl)butan-2-ol
CID 94920388
1-amino-4-(3-ethoxyphenyl)butan-2-ol
CID 112517753
4-(3-cyclopropyloxyphenyl)butan-2-amine
CID 114522923
4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine
CID 83952087
1-(3-ethoxyphenyl)pentan-2-amine
CID 84752930
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236
1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
CID 60817898
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
1-ethoxy-3-(2-ethoxyethyl)benzene
CID 11644076
(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834
1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine
CID 112519407
1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307265

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-ethoxyphenyl)butan-2-amine?
The IUPAC name of (2S)-4-(3-ethoxyphenyl)butan-2-amine (CID 94920485) is (2S)-4-(3-ethoxyphenyl)butan-2-amine.
What is the SMILES notation for (2S)-4-(3-ethoxyphenyl)butan-2-amine?
The canonical SMILES for (2S)-4-(3-ethoxyphenyl)butan-2-amine is CCOc1cccc(CC[C@H](C)N)c1.
What is the InChIKey of (2S)-4-(3-ethoxyphenyl)butan-2-amine?
The InChIKey is ZZDNYVWZFFPPIU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NO/c1-3-14-12-6-4-5-11(9-12)8-7-10(2)13/h4-6,9-10H,3,7-8,13H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-4-(3-ethoxyphenyl)butan-2-amine?
(2S)-4-(3-ethoxyphenyl)butan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-ethoxyphenyl)butan-2-amine is sourced from PubChem (CID 94920485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).