(3-aminophenyl)-(4-propan-2-ylphenyl)methanol

C16H19NO — CID 91678371

IUPAC(3-aminophenyl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)c2cccc(N)c2)cc1
InChIInChI=1S/C16H19NO/c1-11(2)12-6-8-13(9-7-12)16(18)14-4-3-5-15(17)10-14/h3-11,16,18H,17H2,1-2H3
InChIKeyMWCHVMBKPQIFRE-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.47
Rot. Bonds3

About (3-aminophenyl)-(4-propan-2-ylphenyl)methanol

(3-aminophenyl)-(4-propan-2-ylphenyl)methanol (PubChem CID 91678371) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (3-aminophenyl)-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(3-aminophenyl)-(4-propan-2-ylphenyl)methanol
PubChem CID91678371
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(3-aminophenyl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)c2cccc(N)c2)cc1
InChIInChI=1S/C16H19NO/c1-11(2)12-6-8-13(9-7-12)16(18)14-4-3-5-15(17)10-14/h3-11,16,18H,17H2,1-2H3
InChIKeyMWCHVMBKPQIFRE-UHFFFAOYSA-N
XLogP3.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 118363165
(4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol
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CID 91678464
3-(4-propan-2-ylphenyl)aniline
CID 28911760
(3-aminophenyl)-(4-methylperoxysulfanylphenyl)methanol
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N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide
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(3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 114194374
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
(3-aminophenyl)-quinolin-6-ylmethanol
CID 106695803
2-(3-aminophenyl)propanoate
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1-(3-aminophenyl)-2-methylbut-3-en-1-ol
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Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(4-propan-2-ylphenyl)methanol?
The IUPAC name of (3-aminophenyl)-(4-propan-2-ylphenyl)methanol (CID 91678371) is (3-aminophenyl)-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (3-aminophenyl)-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for (3-aminophenyl)-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc(C(O)c2cccc(N)c2)cc1.
What is the InChIKey of (3-aminophenyl)-(4-propan-2-ylphenyl)methanol?
The InChIKey is MWCHVMBKPQIFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11(2)12-6-8-13(9-7-12)16(18)14-4-3-5-15(17)10-14/h3-11,16,18H,17H2,1-2H3.
What are the key properties of (3-aminophenyl)-(4-propan-2-ylphenyl)methanol?
(3-aminophenyl)-(4-propan-2-ylphenyl)methanol has a molecular weight of 241.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 91678371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).