5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline

C18H22ClNO — CID 39432274

IUPAC5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCc1ccc(Cl)cc1NCc1ccccc1OCC(C)C
InChIInChI=1S/C18H22ClNO/c1-13(2)12-21-18-7-5-4-6-15(18)11-20-17-10-16(19)9-8-14(17)3/h4-10,13,20H,11-12H2,1-3H3
InChIKeyMWOFYRWXJJQZNT-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.30
Rot. Bonds6

About 5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline

5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline (PubChem CID 39432274) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
PubChem CID39432274
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCc1ccc(Cl)cc1NCc1ccccc1OCC(C)C
InChIInChI=1S/C18H22ClNO/c1-13(2)12-21-18-7-5-4-6-15(18)11-20-17-10-16(19)9-8-14(17)3/h4-10,13,20H,11-12H2,1-3H3
InChIKeyMWOFYRWXJJQZNT-UHFFFAOYSA-N
XLogP5.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.83
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 54795837
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
CID 894349
5-chloro-2-methyl-N-[(2-propoxyphenyl)methyl]aniline
CID 39394866
N-[(2-butoxyphenyl)methyl]-5-chloro-2-methylaniline
CID 39432260
5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118257
2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39418717
2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39422604
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118021
1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
CID 60903378
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-(2-methylpropoxy)aniline
CID 54800105
1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60903073
5-chloro-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39438809

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
The IUPAC name of 5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline (CID 39432274) is 5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline.
What is the SMILES notation for 5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
The canonical SMILES for 5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline is Cc1ccc(Cl)cc1NCc1ccccc1OCC(C)C.
What is the InChIKey of 5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
The InChIKey is MWOFYRWXJJQZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-13(2)12-21-18-7-5-4-6-15(18)11-20-17-10-16(19)9-8-14(17)3/h4-10,13,20H,11-12H2,1-3H3.
What are the key properties of 5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline has a molecular weight of 303.83 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline is sourced from PubChem (CID 39432274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).