N-(3-butylphenyl)-3,5-dichloroaniline

C16H17Cl2N — CID 91412657

IUPACN-(3-butylphenyl)-3,5-dichloroaniline
SMILESCCCCc1cccc(Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H17Cl2N/c1-2-3-5-12-6-4-7-15(8-12)19-16-10-13(17)9-14(18)11-16/h4,6-11,19H,2-3,5H2,1H3
InChIKeyUKHPKQWWIHJLFE-UHFFFAOYSA-N
MW294.23 g/mol
LogP6.08
Rot. Bonds5

About N-(3-butylphenyl)-3,5-dichloroaniline

N-(3-butylphenyl)-3,5-dichloroaniline (PubChem CID 91412657) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is N-(3-butylphenyl)-3,5-dichloroaniline.

Molecular Properties

Compound NameN-(3-butylphenyl)-3,5-dichloroaniline
PubChem CID91412657
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC NameN-(3-butylphenyl)-3,5-dichloroaniline
SMILESCCCCc1cccc(Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H17Cl2N/c1-2-3-5-12-6-4-7-15(8-12)19-16-10-13(17)9-14(18)11-16/h4,6-11,19H,2-3,5H2,1H3
InChIKeyUKHPKQWWIHJLFE-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.23
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-chloro-3-octylbenzene
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1,3-di(tetradecyl)benzene
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CID 105363453
1-[(3-butylanilino)methyl]cyclohexan-1-ol
CID 90045580
N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide
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3-chloro-N-(3-pentylphenyl)propanamide
CID 46837314

Frequently Asked Questions

What is the IUPAC name of N-(3-butylphenyl)-3,5-dichloroaniline?
The IUPAC name of N-(3-butylphenyl)-3,5-dichloroaniline (CID 91412657) is N-(3-butylphenyl)-3,5-dichloroaniline.
What is the SMILES notation for N-(3-butylphenyl)-3,5-dichloroaniline?
The canonical SMILES for N-(3-butylphenyl)-3,5-dichloroaniline is CCCCc1cccc(Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-(3-butylphenyl)-3,5-dichloroaniline?
The InChIKey is UKHPKQWWIHJLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-2-3-5-12-6-4-7-15(8-12)19-16-10-13(17)9-14(18)11-16/h4,6-11,19H,2-3,5H2,1H3.
What are the key properties of N-(3-butylphenyl)-3,5-dichloroaniline?
N-(3-butylphenyl)-3,5-dichloroaniline has a molecular weight of 294.23 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butylphenyl)-3,5-dichloroaniline is sourced from PubChem (CID 91412657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).