2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline

C18H21Cl2N — CID 104726147

IUPAC2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
SMILESCCCc1ccc(C(C)Nc2cc(Cl)c(C)cc2Cl)cc1
InChIInChI=1S/C18H21Cl2N/c1-4-5-14-6-8-15(9-7-14)13(3)21-18-11-16(19)12(2)10-17(18)20/h6-11,13,21H,4-5H2,1-3H3
InChIKeyCPQGHPGNAFOLFQ-UHFFFAOYSA-N
MW322.28 g/mol
LogP6.43
Rot. Bonds5

About 2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline

2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline (PubChem CID 104726147) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
PubChem CID104726147
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
SMILESCCCc1ccc(C(C)Nc2cc(Cl)c(C)cc2Cl)cc1
InChIInChI=1S/C18H21Cl2N/c1-4-5-14-6-8-15(9-7-14)13(3)21-18-11-16(19)12(2)10-17(18)20/h6-11,13,21H,4-5H2,1-3H3
InChIKeyCPQGHPGNAFOLFQ-UHFFFAOYSA-N
XLogP6.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline
CID 104726016
2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 104726127
4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine
CID 83166730
N-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline
CID 43097085
2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol
CID 43741815
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43104033
2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline
CID 104722475
N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine
CID 63508480
4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline
CID 107621050
N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine
CID 43109909

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline?
The IUPAC name of 2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline (CID 104726147) is 2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline.
What is the SMILES notation for 2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline?
The canonical SMILES for 2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline is CCCc1ccc(C(C)Nc2cc(Cl)c(C)cc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline?
The InChIKey is CPQGHPGNAFOLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-4-5-14-6-8-15(9-7-14)13(3)21-18-11-16(19)12(2)10-17(18)20/h6-11,13,21H,4-5H2,1-3H3.
What are the key properties of 2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline?
2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline has a molecular weight of 322.28 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline is sourced from PubChem (CID 104726147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).