(2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine

C18H23NO — CID 115850319

IUPAC(2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCc1cccc(C(N)c2cccc(OC(C)C)c2)c1C
InChIInChI=1S/C18H23NO/c1-12(2)20-16-9-6-8-15(11-16)18(19)17-10-5-7-13(3)14(17)4/h5-12,18H,19H2,1-4H3
InChIKeyFJHJMHSYZWVOPS-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.14
Rot. Bonds4

About (2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine

(2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 115850319) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine
PubChem CID115850319
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCc1cccc(C(N)c2cccc(OC(C)C)c2)c1C
InChIInChI=1S/C18H23NO/c1-12(2)20-16-9-6-8-15(11-16)18(19)17-10-5-7-13(3)14(17)4/h5-12,18H,19H2,1-4H3
InChIKeyFJHJMHSYZWVOPS-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
CID 114877931
(2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79737100
(2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105019095
(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43149160
1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine
CID 105021793
(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 62920659
(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107985793
(3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105171352
furan-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 62919979
(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine
CID 115827027
1-(2-chloro-3-methylphenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019002
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105398664

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine (CID 115850319) is (2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine is Cc1cccc(C(N)c2cccc(OC(C)C)c2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is FJHJMHSYZWVOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12(2)20-16-9-6-8-15(11-16)18(19)17-10-5-7-13(3)14(17)4/h5-12,18H,19H2,1-4H3.
What are the key properties of (2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine?
(2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 115850319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).