5-methoxy-1-(3-methoxyphenyl)hexan-2-amine

C14H23NO2 — CID 105133883

IUPAC5-methoxy-1-(3-methoxyphenyl)hexan-2-amine
SMILESCOc1cccc(CC(N)CCC(C)OC)c1
InChIInChI=1S/C14H23NO2/c1-11(16-2)7-8-13(15)9-12-5-4-6-14(10-12)17-3/h4-6,10-11,13H,7-9,15H2,1-3H3
InChIKeySIRLVGFTXDPSOU-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.38
Rot. Bonds7

About 5-methoxy-1-(3-methoxyphenyl)hexan-2-amine

5-methoxy-1-(3-methoxyphenyl)hexan-2-amine (PubChem CID 105133883) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 5-methoxy-1-(3-methoxyphenyl)hexan-2-amine.

Molecular Properties

Compound Name5-methoxy-1-(3-methoxyphenyl)hexan-2-amine
PubChem CID105133883
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name5-methoxy-1-(3-methoxyphenyl)hexan-2-amine
SMILESCOc1cccc(CC(N)CCC(C)OC)c1
InChIInChI=1S/C14H23NO2/c1-11(16-2)7-8-13(15)9-12-5-4-6-14(10-12)17-3/h4-6,10-11,13H,7-9,15H2,1-3H3
InChIKeySIRLVGFTXDPSOU-UHFFFAOYSA-N
XLogP2.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
1-(3-methoxyphenyl)dodecan-2-amine
CID 63417344
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
5-(2-methoxyethoxy)-1-(3-methoxyphenyl)pentan-2-amine
CID 103414989
(3S)-1-N-[(3-methoxyphenyl)methyl]-4-phenylbutane-1,3-diamine
CID 69321534
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 61263481
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
3-fluoro-4-(3-methoxyphenyl)butan-2-amine
CID 105450748
4-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 79002230
3-ethoxy-1-(3-methoxyphenyl)butan-2-amine
CID 64541774

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(3-methoxyphenyl)hexan-2-amine?
The IUPAC name of 5-methoxy-1-(3-methoxyphenyl)hexan-2-amine (CID 105133883) is 5-methoxy-1-(3-methoxyphenyl)hexan-2-amine.
What is the SMILES notation for 5-methoxy-1-(3-methoxyphenyl)hexan-2-amine?
The canonical SMILES for 5-methoxy-1-(3-methoxyphenyl)hexan-2-amine is COc1cccc(CC(N)CCC(C)OC)c1.
What is the InChIKey of 5-methoxy-1-(3-methoxyphenyl)hexan-2-amine?
The InChIKey is SIRLVGFTXDPSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(16-2)7-8-13(15)9-12-5-4-6-14(10-12)17-3/h4-6,10-11,13H,7-9,15H2,1-3H3.
What are the key properties of 5-methoxy-1-(3-methoxyphenyl)hexan-2-amine?
5-methoxy-1-(3-methoxyphenyl)hexan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(3-methoxyphenyl)hexan-2-amine is sourced from PubChem (CID 105133883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).