1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine

C13H20ClNO2 — CID 43276505

IUPAC1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine
SMILESCCC(C)Oc1c(Cl)cc(CNC)cc1OC
InChIInChI=1S/C13H20ClNO2/c1-5-9(2)17-13-11(14)6-10(8-15-3)7-12(13)16-4/h6-7,9,15H,5,8H2,1-4H3
InChIKeyDYBJZPGBBGMPHO-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.25
Rot. Bonds6

About 1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine

1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine (PubChem CID 43276505) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine
PubChem CID43276505
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine
SMILESCCC(C)Oc1c(Cl)cc(CNC)cc1OC
InChIInChI=1S/C13H20ClNO2/c1-5-9(2)17-13-11(14)6-10(8-15-3)7-12(13)16-4/h6-7,9,15H,5,8H2,1-4H3
InChIKeyDYBJZPGBBGMPHO-UHFFFAOYSA-N
XLogP3.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63061825
1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 104664508
N-[(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 107890952
1-(3-chloro-5-methoxy-4-octoxyphenyl)-N-methylmethanamine
CID 43276494
N-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43213831
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17292333
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
CID 62104186
(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol
CID 114013408
N-[(3-bromo-4-butan-2-yloxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63055810
6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702314
N-[(3-bromo-4-butan-2-yloxy-5-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056484

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine (CID 43276505) is 1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine is CCC(C)Oc1c(Cl)cc(CNC)cc1OC.
What is the InChIKey of 1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine?
The InChIKey is DYBJZPGBBGMPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-5-9(2)17-13-11(14)6-10(8-15-3)7-12(13)16-4/h6-7,9,15H,5,8H2,1-4H3.
What are the key properties of 1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine?
1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine has a molecular weight of 257.76 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43276505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).