N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-4-phenylbutan-1-amine

C24H31NO2 — CID 73333332

IUPACN-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-4-phenylbutan-1-amine
SMILESCOc1cc2c(cc1C(C)NCCCCc1ccccc1)C=CC(C)(C)O2
InChIInChI=1S/C24H31NO2/c1-18(25-15-9-8-12-19-10-6-5-7-11-19)21-16-20-13-14-24(2,3)27-22(20)17-23(21)26-4/h5-7,10-11,13-14,16-18,25H,8-9,12,15H2,1-4H3
InChIKeyWAZVBMRNWDQKGT-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.55
Rot. Bonds8

About N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-4-phenylbutan-1-amine

N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-4-phenylbutan-1-amine (PubChem CID 73333332) 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]-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-4-phenylbutan-1-amine
PubChem CID73333332
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC NameN-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-4-phenylbutan-1-amine
SMILESCOc1cc2c(cc1C(C)NCCCCc1ccccc1)C=CC(C)(C)O2
InChIInChI=1S/C24H31NO2/c1-18(25-15-9-8-12-19-10-6-5-7-11-19)21-16-20-13-14-24(2,3)27-22(20)17-23(21)26-4/h5-7,10-11,13-14,16-18,25H,8-9,12,15H2,1-4H3
InChIKeyWAZVBMRNWDQKGT-UHFFFAOYSA-N
XLogP5.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.55
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]-4-phenylbutan-1-amine?
The IUPAC name of N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-4-phenylbutan-1-amine (CID 73333332) is N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-4-phenylbutan-1-amine.
What is the SMILES notation for N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-4-phenylbutan-1-amine?
The canonical SMILES for N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-4-phenylbutan-1-amine is COc1cc2c(cc1C(C)NCCCCc1ccccc1)C=CC(C)(C)O2.
What is the InChIKey of N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-4-phenylbutan-1-amine?
The InChIKey is WAZVBMRNWDQKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-18(25-15-9-8-12-19-10-6-5-7-11-19)21-16-20-13-14-24(2,3)27-22(20)17-23(21)26-4/h5-7,10-11,13-14,16-18,25H,8-9,12,15H2,1-4H3.
What are the key properties of N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-4-phenylbutan-1-amine?
N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-4-phenylbutan-1-amine has a molecular weight of 365.52 g/mol, XLogP of 5.55, 8 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]-4-phenylbutan-1-amine is sourced from PubChem (CID 73333332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).