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

C23H29NO2 — CID 73333331

IUPACN-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylpropan-1-amine
SMILESCOc1cc2c(cc1C(C)NCCCc1ccccc1)C=CC(C)(C)O2
InChIInChI=1S/C23H29NO2/c1-17(24-14-8-11-18-9-6-5-7-10-18)20-15-19-12-13-23(2,3)26-21(19)16-22(20)25-4/h5-7,9-10,12-13,15-17,24H,8,11,14H2,1-4H3
InChIKeyXGJMHBHRVKZMEX-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.16
Rot. Bonds7

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

N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylpropan-1-amine (PubChem CID 73333331) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylpropan-1-amine
PubChem CID73333331
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylpropan-1-amine
SMILESCOc1cc2c(cc1C(C)NCCCc1ccccc1)C=CC(C)(C)O2
InChIInChI=1S/C23H29NO2/c1-17(24-14-8-11-18-9-6-5-7-10-18)20-15-19-12-13-23(2,3)26-21(19)16-22(20)25-4/h5-7,9-10,12-13,15-17,24H,8,11,14H2,1-4H3
InChIKeyXGJMHBHRVKZMEX-UHFFFAOYSA-N
XLogP5.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(2,4-dimethoxybenzyl)amine
CID 88696
N-(2-((2,6-Dimethoxy-4-((2-methyl-[1,1'-biphenyl]-3-yl)methoxy)benzyl)amino)ethyl)acetamide
CID 117941658
2-(2,4-Dimethoxyphenyl)pyrrolidine
CID 5236071
(3,5-Dimethoxybenzyl)[3-(4-methoxyphenyl)-1-methylpropyl]amine
CID 2846577
(2S,3S)-N-[[2-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 44578023
(2S,3S)-N-[[2-methoxy-5-(1,1,1-trifluoro-2-methoxypropan-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 44578056
N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine
CID 73346358
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4882752
(1R,3S)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 137652051
(2,4-Dimethoxybenzyl)(2-methylcyclohexyl)amine
CID 2852810
6,8-Dimethoxy-1-(2'-methoxybiphenyl-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
CID 50991363
2-[[2,6-Dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 117941533

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylpropan-1-amine (CID 73333331) is N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylpropan-1-amine is COc1cc2c(cc1C(C)NCCCc1ccccc1)C=CC(C)(C)O2.
What is the InChIKey of N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylpropan-1-amine?
The InChIKey is XGJMHBHRVKZMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-17(24-14-8-11-18-9-6-5-7-10-18)20-15-19-12-13-23(2,3)26-21(19)16-22(20)25-4/h5-7,9-10,12-13,15-17,24H,8,11,14H2,1-4H3.
What are the key properties of N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylpropan-1-amine?
N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylpropan-1-amine has a molecular weight of 351.49 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 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]-3-phenylpropan-1-amine is sourced from PubChem (CID 73333331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).