4-[(N-butylanilino)methyl]-2,6-dimethylphenol

C19H25NO — CID 82965621

IUPAC4-[(N-butylanilino)methyl]-2,6-dimethylphenol
SMILESCCCCN(Cc1cc(C)c(O)c(C)c1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-4-5-11-20(18-9-7-6-8-10-18)14-17-12-15(2)19(21)16(3)13-17/h6-10,12-13,21H,4-5,11,14H2,1-3H3
InChIKeyRYRTUGJMDWWMPK-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.82
Rot. Bonds6

About 4-[(N-butylanilino)methyl]-2,6-dimethylphenol

4-[(N-butylanilino)methyl]-2,6-dimethylphenol (PubChem CID 82965621) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[(N-butylanilino)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(N-butylanilino)methyl]-2,6-dimethylphenol
PubChem CID82965621
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-[(N-butylanilino)methyl]-2,6-dimethylphenol
SMILESCCCCN(Cc1cc(C)c(O)c(C)c1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-4-5-11-20(18-9-7-6-8-10-18)14-17-12-15(2)19(21)16(3)13-17/h6-10,12-13,21H,4-5,11,14H2,1-3H3
InChIKeyRYRTUGJMDWWMPK-UHFFFAOYSA-N
XLogP4.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid
CID 65059194
N-heptyl-N-pentylaniline
CID 154378615
N,N-di(nonyl)aniline
CID 22637953
N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline
CID 64584404
N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline
CID 64584405
4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol
CID 82981488
4-[(N-butylanilino)methyl]pyridin-2-amine
CID 64585240
N-benzyl-N-propylaniline
CID 14671265
N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 61029753
N,N-dibutylaniline;perchloric acid
CID 71443116
N-(fluoromethyl)-N-hexylaniline
CID 22637345
4-[(N-butylanilino)methyl]pyridine-2-carbothioamide
CID 64592322

Frequently Asked Questions

What is the IUPAC name of 4-[(N-butylanilino)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(N-butylanilino)methyl]-2,6-dimethylphenol (CID 82965621) is 4-[(N-butylanilino)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(N-butylanilino)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(N-butylanilino)methyl]-2,6-dimethylphenol is CCCCN(Cc1cc(C)c(O)c(C)c1)c1ccccc1.
What is the InChIKey of 4-[(N-butylanilino)methyl]-2,6-dimethylphenol?
The InChIKey is RYRTUGJMDWWMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-5-11-20(18-9-7-6-8-10-18)14-17-12-15(2)19(21)16(3)13-17/h6-10,12-13,21H,4-5,11,14H2,1-3H3.
What are the key properties of 4-[(N-butylanilino)methyl]-2,6-dimethylphenol?
4-[(N-butylanilino)methyl]-2,6-dimethylphenol has a molecular weight of 283.42 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-butylanilino)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 82965621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).