3-chloro-N-(1-methoxy-4-methylpentan-3-yl)aniline

C13H20ClNO — CID 115919191

IUPAC3-chloro-N-(1-methoxy-4-methylpentan-3-yl)aniline
SMILESCOCCC(Nc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C13H20ClNO/c1-10(2)13(7-8-16-3)15-12-6-4-5-11(14)9-12/h4-6,9-10,13,15H,7-8H2,1-3H3
InChIKeyZFTNDFTVFJJXFI-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.81
Rot. Bonds6

About 3-chloro-N-(1-methoxy-4-methylpentan-3-yl)aniline

3-chloro-N-(1-methoxy-4-methylpentan-3-yl)aniline (PubChem CID 115919191) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 3-chloro-N-(1-methoxy-4-methylpentan-3-yl)aniline.

Molecular Properties

Compound Name3-chloro-N-(1-methoxy-4-methylpentan-3-yl)aniline
PubChem CID115919191
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name3-chloro-N-(1-methoxy-4-methylpentan-3-yl)aniline
SMILESCOCCC(Nc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C13H20ClNO/c1-10(2)13(7-8-16-3)15-12-6-4-5-11(14)9-12/h4-6,9-10,13,15H,7-8H2,1-3H3
InChIKeyZFTNDFTVFJJXFI-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1-methoxy-4-methylpentan-3-yl)aniline
CID 115916693
2-(3-chloroanilino)-4-methoxy-3-methylbutanoic acid
CID 116502016
3-N-(3-chlorophenyl)butane-1,3-diamine
CID 117027031
N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65050293
ethyl 2-(3-chloroanilino)-3-methylbutanoate
CID 61317893
3-chloro-N-(4-methylpentan-2-yl)aniline
CID 43111106
2-(3-chloroanilino)-3-methylpentanenitrile
CID 61319933
ethyl 2-(3-chloroanilino)-4-methoxy-3-methylbutanoate
CID 116502017
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561477
2-(3-chlorophenyl)-4-methoxybutan-1-amine
CID 79443641
4-(3-chloroanilino)pentan-1-ol
CID 115975852
3-chloro-N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]aniline
CID 21210989

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-methoxy-4-methylpentan-3-yl)aniline?
The IUPAC name of 3-chloro-N-(1-methoxy-4-methylpentan-3-yl)aniline (CID 115919191) is 3-chloro-N-(1-methoxy-4-methylpentan-3-yl)aniline.
What is the SMILES notation for 3-chloro-N-(1-methoxy-4-methylpentan-3-yl)aniline?
The canonical SMILES for 3-chloro-N-(1-methoxy-4-methylpentan-3-yl)aniline is COCCC(Nc1cccc(Cl)c1)C(C)C.
What is the InChIKey of 3-chloro-N-(1-methoxy-4-methylpentan-3-yl)aniline?
The InChIKey is ZFTNDFTVFJJXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-10(2)13(7-8-16-3)15-12-6-4-5-11(14)9-12/h4-6,9-10,13,15H,7-8H2,1-3H3.
What are the key properties of 3-chloro-N-(1-methoxy-4-methylpentan-3-yl)aniline?
3-chloro-N-(1-methoxy-4-methylpentan-3-yl)aniline has a molecular weight of 241.76 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-methoxy-4-methylpentan-3-yl)aniline is sourced from PubChem (CID 115919191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).