(4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine

C19H23NO — CID 83045638

IUPAC(4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine
SMILESCOc1c(C)cc(C(N)C2(c3ccccc3)CC2)cc1C
InChIInChI=1S/C19H23NO/c1-13-11-15(12-14(2)17(13)21-3)18(20)19(9-10-19)16-7-5-4-6-8-16/h4-8,11-12,18H,9-10,20H2,1-3H3
InChIKeyUPJMIYRHPLQGPU-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.04
Rot. Bonds4

About (4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine

(4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine (PubChem CID 83045638) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name(4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine
PubChem CID83045638
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine
SMILESCOc1c(C)cc(C(N)C2(c3ccccc3)CC2)cc1C
InChIInChI=1S/C19H23NO/c1-13-11-15(12-14(2)17(13)21-3)18(20)19(9-10-19)16-7-5-4-6-8-16/h4-8,11-12,18H,9-10,20H2,1-3H3
InChIKeyUPJMIYRHPLQGPU-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine
CID 63079154
[1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol
CID 116944258
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine
CID 107128712
(3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine
CID 107560263
(4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine
CID 63078447
(3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine
CID 114521682
(3-chlorophenyl)-(1-phenylcyclopropyl)methanamine
CID 63079140
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanamine
CID 63080445
(2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine
CID 63418067
[3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine
CID 116544293
2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 106892811
(4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine
CID 116506095

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine?
The IUPAC name of (4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine (CID 83045638) is (4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine.
What is the SMILES notation for (4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine?
The canonical SMILES for (4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine is COc1c(C)cc(C(N)C2(c3ccccc3)CC2)cc1C.
What is the InChIKey of (4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine?
The InChIKey is UPJMIYRHPLQGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-11-15(12-14(2)17(13)21-3)18(20)19(9-10-19)16-7-5-4-6-8-16/h4-8,11-12,18H,9-10,20H2,1-3H3.
What are the key properties of (4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine?
(4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine has a molecular weight of 281.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine is sourced from PubChem (CID 83045638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).