(4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol

C17H21NO — CID 91678464

IUPAC(4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(C(C)C)cc2)ccc1N
InChIInChI=1S/C17H21NO/c1-11(2)13-4-6-14(7-5-13)17(19)15-8-9-16(18)12(3)10-15/h4-11,17,19H,18H2,1-3H3
InChIKeyROVMSNUHWYFNTM-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.78
Rot. Bonds3

About (4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol

(4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol (PubChem CID 91678464) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol
PubChem CID91678464
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(C(C)C)cc2)ccc1N
InChIInChI=1S/C17H21NO/c1-11(2)13-4-6-14(7-5-13)17(19)15-8-9-16(18)12(3)10-15/h4-11,17,19H,18H2,1-3H3
InChIKeyROVMSNUHWYFNTM-UHFFFAOYSA-N
XLogP3.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.78
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

(R)-(4-amino-3-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804122
(4-fluoro-3,5-dimethylphenyl)-(4-propan-2-ylphenyl)methanol
CID 65297282
(3-aminophenyl)-(4-propan-2-ylphenyl)methanol
CID 91678371
2,4-dimethylaniline;4-propan-2-ylaniline
CID 158951075
(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804028
4-(1-methoxyethyl)-2-methylaniline
CID 123996118
1-(4-amino-3-methylphenyl)butan-1-ol
CID 164664307
1-(4-amino-3-methylphenyl)-3-bromopropane-1,2-diol
CID 171859705
(R)-(4-amino-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanol
CID 100804222
2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline
CID 26190303
2-(4-amino-3-methylphenyl)propanal
CID 88582796
2-amino-5-[(4-amino-3-hydroxyphenyl)-hydroxymethyl]phenol
CID 22289992

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol?
The IUPAC name of (4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol (CID 91678464) is (4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for (4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol is Cc1cc(C(O)c2ccc(C(C)C)cc2)ccc1N.
What is the InChIKey of (4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol?
The InChIKey is ROVMSNUHWYFNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-11(2)13-4-6-14(7-5-13)17(19)15-8-9-16(18)12(3)10-15/h4-11,17,19H,18H2,1-3H3.
What are the key properties of (4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol?
(4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol has a molecular weight of 255.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 91678464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).