2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline

C16H17Cl2NO — CID 65467770

IUPAC2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline
SMILESCCCOc1cccc(CNc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-2-9-20-13-6-3-5-12(10-13)11-19-16-14(17)7-4-8-15(16)18/h3-8,10,19H,2,9,11H2,1H3
InChIKeyANJRSQRYZFHHLF-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.39
Rot. Bonds6

About 2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline

2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline (PubChem CID 65467770) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline
PubChem CID65467770
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline
SMILESCCCOc1cccc(CNc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-2-9-20-13-6-3-5-12(10-13)11-19-16-14(17)7-4-8-15(16)18/h3-8,10,19H,2,9,11H2,1H3
InChIKeyANJRSQRYZFHHLF-UHFFFAOYSA-N
XLogP5.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(3-propoxyphenyl)methyl]aniline
CID 39375106
N-[(3-butoxyphenyl)methyl]-3-chloro-2-methylaniline
CID 39432297
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline
CID 39384036
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-propoxyphenyl)methanamine
CID 62539082
3-heptoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54802344
3-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360349
2-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360348
4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54796698
N-[(3-butoxyphenyl)methyl]-3-chloroaniline
CID 39394943
2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine
CID 61016634

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline?
The IUPAC name of 2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline (CID 65467770) is 2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline is CCCOc1cccc(CNc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline?
The InChIKey is ANJRSQRYZFHHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-2-9-20-13-6-3-5-12(10-13)11-19-16-14(17)7-4-8-15(16)18/h3-8,10,19H,2,9,11H2,1H3.
What are the key properties of 2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline?
2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline has a molecular weight of 310.22 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline is sourced from PubChem (CID 65467770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).