N-hexan-2-yl-2-methoxy-5-methylaniline

C14H23NO — CID 43761107

IUPACN-hexan-2-yl-2-methoxy-5-methylaniline
SMILESCCCCC(C)Nc1cc(C)ccc1OC
InChIInChI=1S/C14H23NO/c1-5-6-7-12(3)15-13-10-11(2)8-9-14(13)16-4/h8-10,12,15H,5-7H2,1-4H3
InChIKeyOKYLUBKGJWDRMR-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.99
Rot. Bonds6

About N-hexan-2-yl-2-methoxy-5-methylaniline

N-hexan-2-yl-2-methoxy-5-methylaniline (PubChem CID 43761107) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-hexan-2-yl-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-hexan-2-yl-2-methoxy-5-methylaniline
PubChem CID43761107
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-hexan-2-yl-2-methoxy-5-methylaniline
SMILESCCCCC(C)Nc1cc(C)ccc1OC
InChIInChI=1S/C14H23NO/c1-5-6-7-12(3)15-13-10-11(2)8-9-14(13)16-4/h8-10,12,15H,5-7H2,1-4H3
InChIKeyOKYLUBKGJWDRMR-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-heptan-4-yl-2-methoxy-5-methylaniline
CID 29294066
2,5-dimethoxy-N-octan-2-ylaniline
CID 43129776
N-hexan-2-yl-2-methoxy-5-nitroaniline
CID 43785353
N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine
CID 62199273
methyl 3-(2-methoxy-5-methylanilino)butanoate
CID 43536710
N-heptan-2-yl-2-methoxy-5-nitroaniline
CID 43717718
5-tert-butyl-2-methoxy-N-pentan-2-ylaniline
CID 43681220
2,5-diethoxy-N-hexan-2-ylaniline
CID 43759242
4-methoxy-3-methyl-N-nonan-2-ylaniline
CID 55193321
5-chloro-2-ethoxy-N-hexan-2-ylaniline
CID 63451337
2,4-dimethoxy-N-nonan-2-ylaniline
CID 43129720
N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline
CID 43110887

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-2-methoxy-5-methylaniline?
The IUPAC name of N-hexan-2-yl-2-methoxy-5-methylaniline (CID 43761107) is N-hexan-2-yl-2-methoxy-5-methylaniline.
What is the SMILES notation for N-hexan-2-yl-2-methoxy-5-methylaniline?
The canonical SMILES for N-hexan-2-yl-2-methoxy-5-methylaniline is CCCCC(C)Nc1cc(C)ccc1OC.
What is the InChIKey of N-hexan-2-yl-2-methoxy-5-methylaniline?
The InChIKey is OKYLUBKGJWDRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-6-7-12(3)15-13-10-11(2)8-9-14(13)16-4/h8-10,12,15H,5-7H2,1-4H3.
What are the key properties of N-hexan-2-yl-2-methoxy-5-methylaniline?
N-hexan-2-yl-2-methoxy-5-methylaniline has a molecular weight of 221.34 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-2-methoxy-5-methylaniline is sourced from PubChem (CID 43761107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).