3-[(2-chlorophenyl)methoxy]-4-propylaniline

C16H18ClNO — CID 154112954

IUPAC3-[(2-chlorophenyl)methoxy]-4-propylaniline
SMILESCCCc1ccc(N)cc1OCc1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c1-2-5-12-8-9-14(18)10-16(12)19-11-13-6-3-4-7-15(13)17/h3-4,6-10H,2,5,11,18H2,1H3
InChIKeyVTXKROPKGHUAMZ-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.45
Rot. Bonds5

About 3-[(2-chlorophenyl)methoxy]-4-propylaniline

3-[(2-chlorophenyl)methoxy]-4-propylaniline (PubChem CID 154112954) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-4-propylaniline.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-4-propylaniline
PubChem CID154112954
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name3-[(2-chlorophenyl)methoxy]-4-propylaniline
SMILESCCCc1ccc(N)cc1OCc1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c1-2-5-12-8-9-14(18)10-16(12)19-11-13-6-3-4-7-15(13)17/h3-4,6-10H,2,5,11,18H2,1H3
InChIKeyVTXKROPKGHUAMZ-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[(2-ethylphenoxy)methyl]aniline
CID 43364206
3-(fluoromethoxy)-4-propylaniline
CID 121291374
3-[(2-chlorophenyl)methoxy]-4-pyrrolidin-1-ylaniline
CID 132591450
3-[(2-chlorophenyl)methoxy]aniline
CID 23010255
2-[(2-chlorophenyl)methoxy]-5-methylaniline
CID 39350494
3-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
CID 107305414
2-[(2-chlorophenyl)methoxy]aniline;hydrochloride
CID 134094943
2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine
CID 10132592
1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene
CID 22415765
2-[(2-chlorophenyl)methoxy]-6-methylaniline
CID 43438077
4-chloro-3-[(4-propylphenoxy)methyl]aniline
CID 55191486
3-[(2-butan-2-ylphenoxy)methyl]-4-chloroaniline
CID 43350156

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-4-propylaniline?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-4-propylaniline (CID 154112954) is 3-[(2-chlorophenyl)methoxy]-4-propylaniline.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-4-propylaniline?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-4-propylaniline is CCCc1ccc(N)cc1OCc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-4-propylaniline?
The InChIKey is VTXKROPKGHUAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-2-5-12-8-9-14(18)10-16(12)19-11-13-6-3-4-7-15(13)17/h3-4,6-10H,2,5,11,18H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methoxy]-4-propylaniline?
3-[(2-chlorophenyl)methoxy]-4-propylaniline has a molecular weight of 275.78 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-4-propylaniline is sourced from PubChem (CID 154112954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).