2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline

C16H23Cl2N — CID 107427839

IUPAC2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline
SMILESCC(C)CC1CCCC(Nc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C16H23Cl2N/c1-11(2)8-12-4-3-5-14(9-12)19-16-10-13(17)6-7-15(16)18/h6-7,10-12,14,19H,3-5,8-9H2,1-2H3
InChIKeyYLUCXGFINMXGSG-UHFFFAOYSA-N
MW300.27 g/mol
LogP6.01
Rot. Bonds4

About 2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline

2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline (PubChem CID 107427839) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline
PubChem CID107427839
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline
SMILESCC(C)CC1CCCC(Nc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C16H23Cl2N/c1-11(2)8-12-4-3-5-14(9-12)19-16-10-13(17)6-7-15(16)18/h6-7,10-12,14,19H,3-5,8-9H2,1-2H3
InChIKeyYLUCXGFINMXGSG-UHFFFAOYSA-N
XLogP6.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427949
N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427902
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428627
2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine
CID 107428685
3-chloro-4-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427851
2-methyl-N-[3-(2-methylpropyl)cyclohexyl]pyridin-3-amine
CID 107428570
6-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-2-amine
CID 107428686
4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107428829
1-N-(5-chloro-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459416
3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427934
3-bromo-4-[[3-(2-methylpropyl)cyclohexyl]amino]benzonitrile
CID 107428188
1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine
CID 79458145

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline?
The IUPAC name of 2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline (CID 107427839) is 2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline.
What is the SMILES notation for 2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline?
The canonical SMILES for 2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline is CC(C)CC1CCCC(Nc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline?
The InChIKey is YLUCXGFINMXGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-11(2)8-12-4-3-5-14(9-12)19-16-10-13(17)6-7-15(16)18/h6-7,10-12,14,19H,3-5,8-9H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline?
2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline has a molecular weight of 300.27 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline is sourced from PubChem (CID 107427839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).