N-[(5-chloro-2-propoxyphenyl)methyl]aniline

C16H18ClNO — CID 2194466

IUPACN-[(5-chloro-2-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccc(Cl)cc1CNc1ccccc1
InChIInChI=1S/C16H18ClNO/c1-2-10-19-16-9-8-14(17)11-13(16)12-18-15-6-4-3-5-7-15/h3-9,11,18H,2,10,12H2,1H3
InChIKeyUTXMVKNDYAJORK-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.74
Rot. Bonds6

About N-[(5-chloro-2-propoxyphenyl)methyl]aniline

N-[(5-chloro-2-propoxyphenyl)methyl]aniline (PubChem CID 2194466) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[(5-chloro-2-propoxyphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(5-chloro-2-propoxyphenyl)methyl]aniline
PubChem CID2194466
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-[(5-chloro-2-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccc(Cl)cc1CNc1ccccc1
InChIInChI=1S/C16H18ClNO/c1-2-10-19-16-9-8-14(17)11-13(16)12-18-15-6-4-3-5-7-15/h3-9,11,18H,2,10,12H2,1H3
InChIKeyUTXMVKNDYAJORK-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-chloro-2-propoxyphenyl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-propoxyphenyl)methyl]aniline?
The IUPAC name of N-[(5-chloro-2-propoxyphenyl)methyl]aniline (CID 2194466) is N-[(5-chloro-2-propoxyphenyl)methyl]aniline.
What is the SMILES notation for N-[(5-chloro-2-propoxyphenyl)methyl]aniline?
The canonical SMILES for N-[(5-chloro-2-propoxyphenyl)methyl]aniline is CCCOc1ccc(Cl)cc1CNc1ccccc1.
What is the InChIKey of N-[(5-chloro-2-propoxyphenyl)methyl]aniline?
The InChIKey is UTXMVKNDYAJORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-2-10-19-16-9-8-14(17)11-13(16)12-18-15-6-4-3-5-7-15/h3-9,11,18H,2,10,12H2,1H3.
What are the key properties of N-[(5-chloro-2-propoxyphenyl)methyl]aniline?
N-[(5-chloro-2-propoxyphenyl)methyl]aniline has a molecular weight of 275.78 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-propoxyphenyl)methyl]aniline is sourced from PubChem (CID 2194466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).