2-phenyl-N-[(2,2,7-trimethylchromen-4-yl)methyl]ethanamine

C21H25NO — CID 54448422

IUPAC2-phenyl-N-[(2,2,7-trimethylchromen-4-yl)methyl]ethanamine
SMILESCc1ccc2c(c1)OC(C)(C)C=C2CNCCc1ccccc1
InChIInChI=1S/C21H25NO/c1-16-9-10-19-18(14-21(2,3)23-20(19)13-16)15-22-12-11-17-7-5-4-6-8-17/h4-10,13-14,22H,11-12,15H2,1-3H3
InChIKeyWTFBYNWFXVNSAV-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.38
Rot. Bonds5

About 2-phenyl-N-[(2,2,7-trimethylchromen-4-yl)methyl]ethanamine

2-phenyl-N-[(2,2,7-trimethylchromen-4-yl)methyl]ethanamine (PubChem CID 54448422) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-phenyl-N-[(2,2,7-trimethylchromen-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-phenyl-N-[(2,2,7-trimethylchromen-4-yl)methyl]ethanamine
PubChem CID54448422
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name2-phenyl-N-[(2,2,7-trimethylchromen-4-yl)methyl]ethanamine
SMILESCc1ccc2c(c1)OC(C)(C)C=C2CNCCc1ccccc1
InChIInChI=1S/C21H25NO/c1-16-9-10-19-18(14-21(2,3)23-20(19)13-16)15-22-12-11-17-7-5-4-6-8-17/h4-10,13-14,22H,11-12,15H2,1-3H3
InChIKeyWTFBYNWFXVNSAV-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]chromen-7-yl]oxyethyl]-2-phenylethanamine
CID 70572008
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine
CID 66360372
N-[(4-methylphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17053119
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine
CID 62346664
N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine
CID 4715741
4,4,5,5-tetramethyl-2-(2,2,7-trimethylchromen-4-yl)-1,3,2-dioxaborolane
CID 154407123
2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine
CID 22955485
N-[(5-methyl-2-nitrophenyl)methyl]-2-phenylethanamine;4-methyl-2-[(2-phenylethylamino)methyl]aniline
CID 161111304
N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17289928
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
2,2,4,6-tetramethylchromene
CID 22447422

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(2,2,7-trimethylchromen-4-yl)methyl]ethanamine?
The IUPAC name of 2-phenyl-N-[(2,2,7-trimethylchromen-4-yl)methyl]ethanamine (CID 54448422) is 2-phenyl-N-[(2,2,7-trimethylchromen-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-phenyl-N-[(2,2,7-trimethylchromen-4-yl)methyl]ethanamine?
The canonical SMILES for 2-phenyl-N-[(2,2,7-trimethylchromen-4-yl)methyl]ethanamine is Cc1ccc2c(c1)OC(C)(C)C=C2CNCCc1ccccc1.
What is the InChIKey of 2-phenyl-N-[(2,2,7-trimethylchromen-4-yl)methyl]ethanamine?
The InChIKey is WTFBYNWFXVNSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-16-9-10-19-18(14-21(2,3)23-20(19)13-16)15-22-12-11-17-7-5-4-6-8-17/h4-10,13-14,22H,11-12,15H2,1-3H3.
What are the key properties of 2-phenyl-N-[(2,2,7-trimethylchromen-4-yl)methyl]ethanamine?
2-phenyl-N-[(2,2,7-trimethylchromen-4-yl)methyl]ethanamine has a molecular weight of 307.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(2,2,7-trimethylchromen-4-yl)methyl]ethanamine is sourced from PubChem (CID 54448422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).