4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol

C17H21NO — CID 174786387

IUPAC4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol
SMILESCCC(Cc1ccc(CN)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H21NO/c1-2-15(16-7-9-17(19)10-8-16)11-13-3-5-14(12-18)6-4-13/h3-10,15,19H,2,11-12,18H2,1H3
InChIKeyMSAHGCJDWSLONW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.59
Rot. Bonds5

About 4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol

4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol (PubChem CID 174786387) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol.

Molecular Properties

Compound Name4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol
PubChem CID174786387
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol
SMILESCCC(Cc1ccc(CN)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H21NO/c1-2-15(16-7-9-17(19)10-8-16)11-13-3-5-14(12-18)6-4-13/h3-10,15,19H,2,11-12,18H2,1H3
InChIKeyMSAHGCJDWSLONW-UHFFFAOYSA-N
XLogP3.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol
CID 4546967
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
4-(aminomethyl)phenol;ethane;tungsten;hydrate
CID 169128634
4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol
CID 168874199
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
1-[4-(aminomethyl)phenyl]propan-1-ol
CID 22716491
1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene
CID 91475154
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
4-[(7S,11R)-2-(4-hydroxyphenyl)-7,11,15-trimethylhexadecyl]phenol
CID 59780438
4-[(4-butan-2-ylphenyl)methyl]phenol
CID 170030483

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol?
The IUPAC name of 4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol (CID 174786387) is 4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol.
What is the SMILES notation for 4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol?
The canonical SMILES for 4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol is CCC(Cc1ccc(CN)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol?
The InChIKey is MSAHGCJDWSLONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-15(16-7-9-17(19)10-8-16)11-13-3-5-14(12-18)6-4-13/h3-10,15,19H,2,11-12,18H2,1H3.
What are the key properties of 4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol?
4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol has a molecular weight of 255.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol is sourced from PubChem (CID 174786387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).