N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine

C24H31NO3 — CID 13340029

IUPACN-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCC2=CCCc3c2ccc(OC)c3OC)cc1
InChIInChI=1S/C24H31NO3/c1-17(8-9-18-10-12-20(26-2)13-11-18)25-16-19-6-5-7-22-21(19)14-15-23(27-3)24(22)28-4/h6,10-15,17,25H,5,7-9,16H2,1-4H3
InChIKeyQUKHOWOPRGSJNR-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.65
Rot. Bonds9

About N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine

N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine (PubChem CID 13340029) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound NameN-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine
PubChem CID13340029
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC NameN-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCC2=CCCc3c2ccc(OC)c3OC)cc1
InChIInChI=1S/C24H31NO3/c1-17(8-9-18-10-12-20(26-2)13-11-18)25-16-19-6-5-7-22-21(19)14-15-23(27-3)24(22)28-4/h6,10-15,17,25H,5,7-9,16H2,1-4H3
InChIKeyQUKHOWOPRGSJNR-UHFFFAOYSA-N
XLogP4.65
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-2-amine
CID 13340007
(2S)-N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 784034
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 5147026
4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine
CID 60913277
2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol
CID 10806259
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol
CID 115719297
4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine
CID 106414728
4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732215
(2S)-4-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 30982638
N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 43754790

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine?
The IUPAC name of N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine (CID 13340029) is N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine?
The canonical SMILES for N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine is COc1ccc(CCC(C)NCC2=CCCc3c2ccc(OC)c3OC)cc1.
What is the InChIKey of N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine?
The InChIKey is QUKHOWOPRGSJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-17(8-9-18-10-12-20(26-2)13-11-18)25-16-19-6-5-7-22-21(19)14-15-23(27-3)24(22)28-4/h6,10-15,17,25H,5,7-9,16H2,1-4H3.
What are the key properties of N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine?
N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine has a molecular weight of 381.52 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 13340029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).