N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline

C16H18ClNO — CID 43109420

IUPACN-[1-(3-chlorophenyl)propyl]-2-methoxyaniline
SMILESCCC(Nc1ccccc1OC)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-3-14(12-7-6-8-13(17)11-12)18-15-9-4-5-10-16(15)19-2/h4-11,14,18H,3H2,1-2H3
InChIKeyQXYPBTVUPNOBBB-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.91
Rot. Bonds5

About N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline

N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline (PubChem CID 43109420) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-2-methoxyaniline
PubChem CID43109420
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-[1-(3-chlorophenyl)propyl]-2-methoxyaniline
SMILESCCC(Nc1ccccc1OC)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-3-14(12-7-6-8-13(17)11-12)18-15-9-4-5-10-16(15)19-2/h4-11,14,18H,3H2,1-2H3
InChIKeyQXYPBTVUPNOBBB-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 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 ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline
CID 43750406
N-[1-(3-chlorophenyl)propyl]-4-methoxy-3-methylaniline
CID 63455500
N-[1-(3-chlorophenyl)propyl]-2,3-dimethylaniline
CID 43097470
5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol
CID 43743809
N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline
CID 63452522
1-(3-chlorophenyl)-N-methoxypropan-1-amine
CID 82707450
N-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline
CID 43108475
2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol
CID 114454325
2-bromo-N-[1-(3-chlorophenyl)propyl]-4-methylaniline
CID 43107792
N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline
CID 63455009
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol
CID 83230067
N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline
CID 43789736

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline (CID 43109420) is N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline is CCC(Nc1ccccc1OC)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline?
The InChIKey is QXYPBTVUPNOBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-3-14(12-7-6-8-13(17)11-12)18-15-9-4-5-10-16(15)19-2/h4-11,14,18H,3H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline?
N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline has a molecular weight of 275.78 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline is sourced from PubChem (CID 43109420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).