3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline

C16H18ClNO2 — CID 80747976

IUPAC3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N)cc(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H18ClNO2/c1-11(2)20-16-8-14(18)7-15(9-16)19-10-12-4-3-5-13(17)6-12/h3-9,11H,10,18H2,1-2H3
InChIKeyGHYTXXSSQBYCPN-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.29
Rot. Bonds5

About 3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline

3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline (PubChem CID 80747976) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline
PubChem CID80747976
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N)cc(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H18ClNO2/c1-11(2)20-16-8-14(18)7-15(9-16)19-10-12-4-3-5-13(17)6-12/h3-9,11H,10,18H2,1-2H3
InChIKeyGHYTXXSSQBYCPN-UHFFFAOYSA-N
XLogP4.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline
CID 80752679
3-(3-chlorophenoxy)-5-propan-2-yloxyaniline
CID 80748608
4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 15059553
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene
CID 103599968
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80963380
2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 65127178
3-[(3-bromophenyl)methoxy]-5-methoxyaniline
CID 82828787
3-methoxy-5-phenylmethoxyaniline
CID 12658785
(2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide
CID 11594891
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline?
The IUPAC name of 3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline (CID 80747976) is 3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline.
What is the SMILES notation for 3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline?
The canonical SMILES for 3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline is CC(C)Oc1cc(N)cc(OCc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline?
The InChIKey is GHYTXXSSQBYCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11(2)20-16-8-14(18)7-15(9-16)19-10-12-4-3-5-13(17)6-12/h3-9,11H,10,18H2,1-2H3.
What are the key properties of 3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline?
3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline has a molecular weight of 291.78 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline is sourced from PubChem (CID 80747976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).