5-methyl-2-(phenanthren-9-ylmethyl)aniline

C22H19N — CID 154946620

IUPAC5-methyl-2-(phenanthren-9-ylmethyl)aniline
SMILESCc1ccc(Cc2cc3ccccc3c3ccccc23)c(N)c1
InChIInChI=1S/C22H19N/c1-15-10-11-17(22(23)12-15)14-18-13-16-6-2-3-7-19(16)21-9-5-4-8-20(18)21/h2-13H,14,23H2,1H3
InChIKeyVHOSEMOEMFEEBZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.47
Rot. Bonds2

About 5-methyl-2-(phenanthren-9-ylmethyl)aniline

5-methyl-2-(phenanthren-9-ylmethyl)aniline (PubChem CID 154946620) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-methyl-2-(phenanthren-9-ylmethyl)aniline.

Molecular Properties

Compound Name5-methyl-2-(phenanthren-9-ylmethyl)aniline
PubChem CID154946620
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name5-methyl-2-(phenanthren-9-ylmethyl)aniline
SMILESCc1ccc(Cc2cc3ccccc3c3ccccc23)c(N)c1
InChIInChI=1S/C22H19N/c1-15-10-11-17(22(23)12-15)14-18-13-16-6-2-3-7-19(16)21-9-5-4-8-20(18)21/h2-13H,14,23H2,1H3
InChIKeyVHOSEMOEMFEEBZ-UHFFFAOYSA-N
XLogP5.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-(quinolin-4-ylmethyl)aniline
CID 82766689
3-methyl-10-[[10-(phenanthren-3-ylmethyl)phenanthren-3-yl]methyl]phenanthrene
CID 123325766
3-methyl-1-[(3-methylphenanthren-1-yl)methyl]phenanthrene
CID 158013989
4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine
CID 21280661
2-(phenanthren-9-ylmethyl)phenanthrene
CID 161235111
3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane
CID 160912845
phenanthren-9-amine
CID 13695
1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine
CID 11266515
5-methyl-2-(2-methylnaphthalen-1-yl)aniline
CID 82767076
2-(chloromethyl)-5-methylaniline
CID 91883475
9-(methoxymethyl)phenanthrene
CID 15557052
phenanthren-9-ylmethylhydrazine
CID 53432355

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(phenanthren-9-ylmethyl)aniline?
The IUPAC name of 5-methyl-2-(phenanthren-9-ylmethyl)aniline (CID 154946620) is 5-methyl-2-(phenanthren-9-ylmethyl)aniline.
What is the SMILES notation for 5-methyl-2-(phenanthren-9-ylmethyl)aniline?
The canonical SMILES for 5-methyl-2-(phenanthren-9-ylmethyl)aniline is Cc1ccc(Cc2cc3ccccc3c3ccccc23)c(N)c1.
What is the InChIKey of 5-methyl-2-(phenanthren-9-ylmethyl)aniline?
The InChIKey is VHOSEMOEMFEEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-15-10-11-17(22(23)12-15)14-18-13-16-6-2-3-7-19(16)21-9-5-4-8-20(18)21/h2-13H,14,23H2,1H3.
What are the key properties of 5-methyl-2-(phenanthren-9-ylmethyl)aniline?
5-methyl-2-(phenanthren-9-ylmethyl)aniline has a molecular weight of 297.40 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(phenanthren-9-ylmethyl)aniline is sourced from PubChem (CID 154946620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).