N-[(3-chloro-5-methylphenyl)methyl]aniline;ethane

C16H20ClN — CID 143782368

IUPACN-[(3-chloro-5-methylphenyl)methyl]aniline;ethane
SMILESCC.Cc1cc(Cl)cc(CNc2ccccc2)c1
InChIInChI=1S/C14H14ClN.C2H6/c1-11-7-12(9-13(15)8-11)10-16-14-5-3-2-4-6-14;1-2/h2-9,16H,10H2,1H3;1-2H3
InChIKeyOWFPJPVGFUAPGR-UHFFFAOYSA-N
MW261.80 g/mol
LogP5.29
Rot. Bonds3

About N-[(3-chloro-5-methylphenyl)methyl]aniline;ethane

N-[(3-chloro-5-methylphenyl)methyl]aniline;ethane (PubChem CID 143782368) has the molecular formula C16H20ClN and a molecular weight of 261.80 g/mol. Its IUPAC name is N-[(3-chloro-5-methylphenyl)methyl]aniline;ethane.

Molecular Properties

Compound NameN-[(3-chloro-5-methylphenyl)methyl]aniline;ethane
PubChem CID143782368
Molecular FormulaC16H20ClN
Molecular Weight261.80 g/mol
Exact Mass261.13
IUPAC NameN-[(3-chloro-5-methylphenyl)methyl]aniline;ethane
SMILESCC.Cc1cc(Cl)cc(CNc2ccccc2)c1
InChIInChI=1S/C14H14ClN.C2H6/c1-11-7-12(9-13(15)8-11)10-16-14-5-3-2-4-6-14;1-2/h2-9,16H,10H2,1H3;1-2H3
InChIKeyOWFPJPVGFUAPGR-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.80
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine
CID 81324019
N-[(3,5-difluoro-4-methylphenyl)methyl]aniline
CID 123267459
N-[(3,5-dichlorophenyl)methyl]-3-ethylaniline
CID 60788560
ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen
CID 168878317
N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
N-benzyl-4-chloroaniline chloride
CID 45109713
1,3-dichloro-5-methylbenzene;toluene
CID 143933195
CID 163931246
CID 163931246
1-chloro-3-methyl-5-phenylbenzene;ethane
CID 143782366
N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline
CID 63454346
N-benzyl-2-chloro-5-methylaniline
CID 83290853
N-benzyl-3-chloro-4-methylaniline
CID 18778604

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-methylphenyl)methyl]aniline;ethane?
The IUPAC name of N-[(3-chloro-5-methylphenyl)methyl]aniline;ethane (CID 143782368) is N-[(3-chloro-5-methylphenyl)methyl]aniline;ethane.
What is the SMILES notation for N-[(3-chloro-5-methylphenyl)methyl]aniline;ethane?
The canonical SMILES for N-[(3-chloro-5-methylphenyl)methyl]aniline;ethane is CC.Cc1cc(Cl)cc(CNc2ccccc2)c1.
What is the InChIKey of N-[(3-chloro-5-methylphenyl)methyl]aniline;ethane?
The InChIKey is OWFPJPVGFUAPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN.C2H6/c1-11-7-12(9-13(15)8-11)10-16-14-5-3-2-4-6-14;1-2/h2-9,16H,10H2,1H3;1-2H3.
What are the key properties of N-[(3-chloro-5-methylphenyl)methyl]aniline;ethane?
N-[(3-chloro-5-methylphenyl)methyl]aniline;ethane has a molecular weight of 261.80 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-methylphenyl)methyl]aniline;ethane is sourced from PubChem (CID 143782368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).