N,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine

C19H23NO — CID 114712083

IUPACN,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine
SMILESCNC1CC(C)(CCc2ccccc2)Oc2ccccc21
InChIInChI=1S/C19H23NO/c1-19(13-12-15-8-4-3-5-9-15)14-17(20-2)16-10-6-7-11-18(16)21-19/h3-11,17,20H,12-14H2,1-2H3
InChIKeyJBHPZFMAQMLYBV-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.12
Rot. Bonds4

About N,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine

N,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine (PubChem CID 114712083) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine
PubChem CID114712083
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine
SMILESCNC1CC(C)(CCc2ccccc2)Oc2ccccc21
InChIInChI=1S/C19H23NO/c1-19(13-12-15-8-4-3-5-9-15)14-17(20-2)16-10-6-7-11-18(16)21-19/h3-11,17,20H,12-14H2,1-2H3
InChIKeyJBHPZFMAQMLYBV-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82462113
N,2-dimethyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114711989
2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine
CID 114709726
(4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol
CID 104950386
N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114711957
2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 114712262
6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine
CID 114710604
N,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114240817
2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462123
2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 114712231
2-(cyclopropylmethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712415
(4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104949814

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of N,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine (CID 114712083) is N,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for N,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine is CNC1CC(C)(CCc2ccccc2)Oc2ccccc21.
What is the InChIKey of N,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine?
The InChIKey is JBHPZFMAQMLYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-19(13-12-15-8-4-3-5-9-15)14-17(20-2)16-10-6-7-11-18(16)21-19/h3-11,17,20H,12-14H2,1-2H3.
What are the key properties of N,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine?
N,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine has a molecular weight of 281.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114712083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).