4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol

C19H25NO — CID 43734643

IUPAC4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol
SMILESCCC(CC)C(NCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-3-16(4-2)19(17-8-6-5-7-9-17)20-14-15-10-12-18(21)13-11-15/h5-13,16,19-21H,3-4,14H2,1-2H3
InChIKeyXUIZUSAUASKQCQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.66
Rot. Bonds7

About 4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol

4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol (PubChem CID 43734643) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol
PubChem CID43734643
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol
SMILESCCC(CC)C(NCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-3-16(4-2)19(17-8-6-5-7-9-17)20-14-15-10-12-18(21)13-11-15/h5-13,16,19-21H,3-4,14H2,1-2H3
InChIKeyXUIZUSAUASKQCQ-UHFFFAOYSA-N
XLogP4.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-ethyl-1-phenylbutan-1-amine
CID 43734682
2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine
CID 43734672
N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 139633407
4-[(1-phenylhexylamino)methyl]phenol
CID 115715711
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1-phenylbutan-1-amine
CID 63445722
4-[(benzylamino)-phenylmethyl]heptane-3,5-dione
CID 102397500
N-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine
CID 43734675
2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine
CID 43788951
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400
2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814687

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol?
The IUPAC name of 4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol (CID 43734643) is 4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol?
The canonical SMILES for 4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol is CCC(CC)C(NCc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol?
The InChIKey is XUIZUSAUASKQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-16(4-2)19(17-8-6-5-7-9-17)20-14-15-10-12-18(21)13-11-15/h5-13,16,19-21H,3-4,14H2,1-2H3.
What are the key properties of 4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol?
4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol has a molecular weight of 283.42 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol is sourced from PubChem (CID 43734643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).