1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine

C15H22ClNO2 — CID 117456463

IUPAC1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(Cl)c(CC(C)(C)N)cc1OC1CCC1
InChIInChI=1S/C15H22ClNO2/c1-15(2,17)9-10-7-14(19-11-5-4-6-11)13(18-3)8-12(10)16/h7-8,11H,4-6,9,17H2,1-3H3
InChIKeyQJKIHDDZCBGGOA-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.56
Rot. Bonds5

About 1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine

1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine (PubChem CID 117456463) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine
PubChem CID117456463
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(Cl)c(CC(C)(C)N)cc1OC1CCC1
InChIInChI=1S/C15H22ClNO2/c1-15(2,17)9-10-7-14(19-11-5-4-6-11)13(18-3)8-12(10)16/h7-8,11H,4-6,9,17H2,1-3H3
InChIKeyQJKIHDDZCBGGOA-UHFFFAOYSA-N
XLogP3.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine
CID 117479607
2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine
CID 117494580
2-amino-3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117482696
(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine
CID 117460840
(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium
CID 7454850
1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol
CID 117429947
2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
CID 117458641
2-cyclopentyloxy-4,5-dimethoxyaniline
CID 83008231
2-(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)acetonitrile
CID 117494859
3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
CID 117499889
2-chloro-4-cyclobutyloxy-1-methoxybenzene
CID 130057041
3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine
CID 117452505

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine (CID 117456463) is 1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine is COc1cc(Cl)c(CC(C)(C)N)cc1OC1CCC1.
What is the InChIKey of 1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is QJKIHDDZCBGGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-15(2,17)9-10-7-14(19-11-5-4-6-11)13(18-3)8-12(10)16/h7-8,11H,4-6,9,17H2,1-3H3.
What are the key properties of 1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine?
1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine has a molecular weight of 283.80 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117456463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).