5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol

C16H18ClNO2 — CID 43743809

IUPAC5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol
SMILESCCC(Nc1ccc(OC)c(O)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO2/c1-3-14(11-5-4-6-12(17)9-11)18-13-7-8-16(20-2)15(19)10-13/h4-10,14,18-19H,3H2,1-2H3
InChIKeyFIDQUVONVATADU-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.62
Rot. Bonds5

About 5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol

5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol (PubChem CID 43743809) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol.

Molecular Properties

Compound Name5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol
PubChem CID43743809
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol
SMILESCCC(Nc1ccc(OC)c(O)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO2/c1-3-14(11-5-4-6-12(17)9-11)18-13-7-8-16(20-2)15(19)10-13/h4-10,14,18-19H,3H2,1-2H3
InChIKeyFIDQUVONVATADU-UHFFFAOYSA-N
XLogP4.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-4-methoxy-3-methylaniline
CID 63455500
N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline
CID 43109420
N-[1-(3-bromophenyl)propyl]-3-chloro-4-methoxyaniline
CID 43758118
4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
CID 43101702
3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline
CID 43758094
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol
CID 65026318
4-[1-(3-chlorophenyl)propylamino]benzoic acid
CID 43321653
4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline
CID 114871894
2-chloro-4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43736518
4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43192997
1-(3-chlorophenyl)-N-methoxypropan-1-amine
CID 82707450
N-[1-(3-bromophenyl)propyl]-3-chloroaniline
CID 43762074

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol?
The IUPAC name of 5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol (CID 43743809) is 5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol.
What is the SMILES notation for 5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol?
The canonical SMILES for 5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol is CCC(Nc1ccc(OC)c(O)c1)c1cccc(Cl)c1.
What is the InChIKey of 5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol?
The InChIKey is FIDQUVONVATADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-3-14(11-5-4-6-12(17)9-11)18-13-7-8-16(20-2)15(19)10-13/h4-10,14,18-19H,3H2,1-2H3.
What are the key properties of 5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol?
5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol has a molecular weight of 291.78 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol is sourced from PubChem (CID 43743809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).