N-hexan-2-yl-3-(methoxymethyl)aniline

C14H23NO — CID 43778851

IUPACN-hexan-2-yl-3-(methoxymethyl)aniline
SMILESCCCCC(C)Nc1cccc(COC)c1
InChIInChI=1S/C14H23NO/c1-4-5-7-12(2)15-14-9-6-8-13(10-14)11-16-3/h6,8-10,12,15H,4-5,7,11H2,1-3H3
InChIKeySUIMWLRFFUSCAY-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.82
Rot. Bonds7

About N-hexan-2-yl-3-(methoxymethyl)aniline

N-hexan-2-yl-3-(methoxymethyl)aniline (PubChem CID 43778851) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-hexan-2-yl-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-hexan-2-yl-3-(methoxymethyl)aniline
PubChem CID43778851
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-hexan-2-yl-3-(methoxymethyl)aniline
SMILESCCCCC(C)Nc1cccc(COC)c1
InChIInChI=1S/C14H23NO/c1-4-5-7-12(2)15-14-9-6-8-13(10-14)11-16-3/h6,8-10,12,15H,4-5,7,11H2,1-3H3
InChIKeySUIMWLRFFUSCAY-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(methoxymethyl)anilino]pentan-1-ol
CID 115975845
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3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43672004
N-hexan-2-yl-3-propan-2-ylaniline
CID 43768976
3-ethyl-N-pentan-2-ylaniline
CID 43102191
3-(heptan-2-ylamino)phenol
CID 43207062
3-(octan-2-ylamino)phenol
CID 43130083
3-ethynyl-N-hexan-2-ylaniline
CID 43755495
3-(3-chloropropyl)-N-pentan-2-ylaniline
CID 107887553
3-(methoxymethyl)-N-(1-phenylpropyl)aniline
CID 43672251
3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 43784811
N-octan-2-yl-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691855

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-3-(methoxymethyl)aniline?
The IUPAC name of N-hexan-2-yl-3-(methoxymethyl)aniline (CID 43778851) is N-hexan-2-yl-3-(methoxymethyl)aniline.
What is the SMILES notation for N-hexan-2-yl-3-(methoxymethyl)aniline?
The canonical SMILES for N-hexan-2-yl-3-(methoxymethyl)aniline is CCCCC(C)Nc1cccc(COC)c1.
What is the InChIKey of N-hexan-2-yl-3-(methoxymethyl)aniline?
The InChIKey is SUIMWLRFFUSCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-7-12(2)15-14-9-6-8-13(10-14)11-16-3/h6,8-10,12,15H,4-5,7,11H2,1-3H3.
What are the key properties of N-hexan-2-yl-3-(methoxymethyl)aniline?
N-hexan-2-yl-3-(methoxymethyl)aniline has a molecular weight of 221.34 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-3-(methoxymethyl)aniline is sourced from PubChem (CID 43778851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).