(S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol

C16H19NO — CID 100803973

IUPAC(S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol
SMILESCc1ccc(C)c([C@H](O)c2cccc(N)c2C)c1
InChIInChI=1S/C16H19NO/c1-10-7-8-11(2)14(9-10)16(18)13-5-4-6-15(17)12(13)3/h4-9,16,18H,17H2,1-3H3/t16-/m1/s1
InChIKeyOAQLXMSFAZHDDE-MRXNPFEDSA-N
MW241.33 g/mol
LogP3.28
Rot. Bonds2

About (S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol

(S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol (PubChem CID 100803973) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol
PubChem CID100803973
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol
SMILESCc1ccc(C)c([C@H](O)c2cccc(N)c2C)c1
InChIInChI=1S/C16H19NO/c1-10-7-8-11(2)14(9-10)16(18)13-5-4-6-15(17)12(13)3/h4-9,16,18H,17H2,1-3H3/t16-/m1/s1
InChIKeyOAQLXMSFAZHDDE-MRXNPFEDSA-N
XLogP3.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.28
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

(2-bromo-3-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 114023965
(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
CID 91678603
(S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
CID 100804210
(S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol
CID 129395416
2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol
CID 114743334
(3-bromophenyl)-(2,5-dimethylphenyl)methanol
CID 61089224
(S)-(2-aminophenyl)-(4-methylphenyl)methanol
CID 40526253
(2-amino-5-methylphenyl)-(4-methylphenyl)methanol
CID 105484727
(R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol
CID 100804058
(R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 100803991
(2,5-dimethylphenyl)-(2-methoxy-3-pyridinyl)methanol
CID 113230061
3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol
CID 105486551

Frequently Asked Questions

What is the IUPAC name of (S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol?
The IUPAC name of (S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol (CID 100803973) is (S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol.
What is the SMILES notation for (S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol?
The canonical SMILES for (S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol is Cc1ccc(C)c([C@H](O)c2cccc(N)c2C)c1.
What is the InChIKey of (S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol?
The InChIKey is OAQLXMSFAZHDDE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19NO/c1-10-7-8-11(2)14(9-10)16(18)13-5-4-6-15(17)12(13)3/h4-9,16,18H,17H2,1-3H3/t16-/m1/s1.
What are the key properties of (S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol?
(S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol has a molecular weight of 241.33 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol is sourced from PubChem (CID 100803973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).