N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine

C24H31NO2 — CID 73346358

IUPACN-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine
SMILESCOc1cc2c(cc1C(C)N(C)CCCc1ccccc1)C=CC(C)(C)O2
InChIInChI=1S/C24H31NO2/c1-18(25(4)15-9-12-19-10-7-6-8-11-19)21-16-20-13-14-24(2,3)27-22(20)17-23(21)26-5/h6-8,10-11,13-14,16-18H,9,12,15H2,1-5H3
InChIKeyVPDDRYWFFSXXSV-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.51
Rot. Bonds7

About N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine

N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine (PubChem CID 73346358) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine
PubChem CID73346358
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC NameN-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine
SMILESCOc1cc2c(cc1C(C)N(C)CCCc1ccccc1)C=CC(C)(C)O2
InChIInChI=1S/C24H31NO2/c1-18(25(4)15-9-12-19-10-7-6-8-11-19)21-16-20-13-14-24(2,3)27-22(20)17-23(21)26-5/h6-8,10-11,13-14,16-18H,9,12,15H2,1-5H3
InChIKeyVPDDRYWFFSXXSV-UHFFFAOYSA-N
XLogP5.51
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(2,4-dimethoxybenzyl)amine
CID 88696
1-(2,4-Dimethoxy-3-methylbenzyl)-4-methyl-1,4-diazepane
CID 765825
8-{[benzyl(methyl)amino]methyl}-7-hydroxy-4-methyl-2H-chromen-2-one
CID 5391089
1-Benzyl-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 792721
(2,4-Dimethoxybenzyl)(2-methylcyclohexyl)amine
CID 2852810
6-[(dimethylamino)methyl]-7-hydroxy-4-(4-methoxyphenyl)-8-methyl-2H-chromen-2-one
CID 5417112
3-Benzyl-8-methoxy-1,2,3,4-tetrahydro-chromeno[3,4-c]pyridin-5-one
CID 9883587
8-Methoxy-3-(4-methyl-benzyl)-1,2,3,4-tetrahydro-chromeno[3,4-c]pyridin-5-one
CID 10640530
8-Methoxy-3-(4-methoxy-benzyl)-1,2,3,4-tetrahydro-chromeno[3,4-c]pyridin-5-one
CID 10689266
2-benzyl-7-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole
CID 19694443
6-(2,6-Dimethoxyphenyl)-1-(4-propoxybenzyl)piperidin-2-one
CID 69085230
3-methoxy-4-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol
CID 168281740

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine (CID 73346358) is N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine is COc1cc2c(cc1C(C)N(C)CCCc1ccccc1)C=CC(C)(C)O2.
What is the InChIKey of N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine?
The InChIKey is VPDDRYWFFSXXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-18(25(4)15-9-12-19-10-7-6-8-11-19)21-16-20-13-14-24(2,3)27-22(20)17-23(21)26-5/h6-8,10-11,13-14,16-18H,9,12,15H2,1-5H3.
What are the key properties of N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine?
N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine has a molecular weight of 365.52 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 73346358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).