(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine

C12H19NO2 — CID 30078360

IUPAC(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
SMILESCOc1cc([C@H](C)N)ccc1OC(C)C
InChIInChI=1S/C12H19NO2/c1-8(2)15-11-6-5-10(9(3)13)7-12(11)14-4/h5-9H,13H2,1-4H3/t9-/m0/s1
InChIKeyNRBXQSDGZCXNRK-VIFPVBQESA-N
MW209.29 g/mol
LogP2.50
Rot. Bonds4

About (1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine

(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine (PubChem CID 30078360) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
PubChem CID30078360
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
SMILESCOc1cc([C@H](C)N)ccc1OC(C)C
InChIInChI=1S/C12H19NO2/c1-8(2)15-11-6-5-10(9(3)13)7-12(11)14-4/h5-9H,13H2,1-4H3/t9-/m0/s1
InChIKeyNRBXQSDGZCXNRK-VIFPVBQESA-N
XLogP2.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)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-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine
CID 16790112
(1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 78960200
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]propanoic acid
CID 55189911
methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate
CID 63366880
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
2,2-dichloro-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanol
CID 164892730
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of (1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine (CID 30078360) is (1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for (1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine is COc1cc([C@H](C)N)ccc1OC(C)C.
What is the InChIKey of (1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is NRBXQSDGZCXNRK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)15-11-6-5-10(9(3)13)7-12(11)14-4/h5-9H,13H2,1-4H3/t9-/m0/s1.
What are the key properties of (1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine?
(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 30078360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).