4-[4-[2-(2-aminoethyl)-3-methylbutyl]phenyl]phenol

C19H25NO — CID 82542817

IUPAC4-[4-[2-(2-aminoethyl)-3-methylbutyl]phenyl]phenol
SMILESCC(C)C(CCN)Cc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H25NO/c1-14(2)18(11-12-20)13-15-3-5-16(6-4-15)17-7-9-19(21)10-8-17/h3-10,14,18,21H,11-13,20H2,1-2H3
InChIKeyKPWQDLFJUSSPTR-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.22
Rot. Bonds6

About 4-[4-[2-(2-aminoethyl)-3-methylbutyl]phenyl]phenol

4-[4-[2-(2-aminoethyl)-3-methylbutyl]phenyl]phenol (PubChem CID 82542817) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[4-[2-(2-aminoethyl)-3-methylbutyl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[2-(2-aminoethyl)-3-methylbutyl]phenyl]phenol
PubChem CID82542817
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-[4-[2-(2-aminoethyl)-3-methylbutyl]phenyl]phenol
SMILESCC(C)C(CCN)Cc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H25NO/c1-14(2)18(11-12-20)13-15-3-5-16(6-4-15)17-7-9-19(21)10-8-17/h3-10,14,18,21H,11-13,20H2,1-2H3
InChIKeyKPWQDLFJUSSPTR-UHFFFAOYSA-N
XLogP4.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol
CID 82540513
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
4-[3-(5-amino-3-methylpentyl)phenyl]phenol
CID 82542822
4-(2-amino-4-methylpentyl)phenol
CID 62754924
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943
4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine
CID 82542750
(4R)-4-[(4-aminophenyl)methyl]-5-methylhexanoic acid
CID 88973344
4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-aminoethyl)-3-methylbutyl]phenyl]phenol?
The IUPAC name of 4-[4-[2-(2-aminoethyl)-3-methylbutyl]phenyl]phenol (CID 82542817) is 4-[4-[2-(2-aminoethyl)-3-methylbutyl]phenyl]phenol.
What is the SMILES notation for 4-[4-[2-(2-aminoethyl)-3-methylbutyl]phenyl]phenol?
The canonical SMILES for 4-[4-[2-(2-aminoethyl)-3-methylbutyl]phenyl]phenol is CC(C)C(CCN)Cc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-[2-(2-aminoethyl)-3-methylbutyl]phenyl]phenol?
The InChIKey is KPWQDLFJUSSPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)18(11-12-20)13-15-3-5-16(6-4-15)17-7-9-19(21)10-8-17/h3-10,14,18,21H,11-13,20H2,1-2H3.
What are the key properties of 4-[4-[2-(2-aminoethyl)-3-methylbutyl]phenyl]phenol?
4-[4-[2-(2-aminoethyl)-3-methylbutyl]phenyl]phenol has a molecular weight of 283.42 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-aminoethyl)-3-methylbutyl]phenyl]phenol is sourced from PubChem (CID 82542817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).