N-benzyl-3-(3,4-dihydro-2H-chromen-6-yloxy)-N-methyl-3-phenylpropan-1-amine

C26H29NO2 — CID 12918943

IUPACN-benzyl-3-(3,4-dihydro-2H-chromen-6-yloxy)-N-methyl-3-phenylpropan-1-amine
SMILESCN(CCC(Oc1ccc2c(c1)CCCO2)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H29NO2/c1-27(20-21-9-4-2-5-10-21)17-16-26(22-11-6-3-7-12-22)29-24-14-15-25-23(19-24)13-8-18-28-25/h2-7,9-12,14-15,19,26H,8,13,16-18,20H2,1H3
InChIKeyCCJVLFHWLMOTDJ-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.65
Rot. Bonds8

About N-benzyl-3-(3,4-dihydro-2H-chromen-6-yloxy)-N-methyl-3-phenylpropan-1-amine

N-benzyl-3-(3,4-dihydro-2H-chromen-6-yloxy)-N-methyl-3-phenylpropan-1-amine (PubChem CID 12918943) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-benzyl-3-(3,4-dihydro-2H-chromen-6-yloxy)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(3,4-dihydro-2H-chromen-6-yloxy)-N-methyl-3-phenylpropan-1-amine
PubChem CID12918943
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC NameN-benzyl-3-(3,4-dihydro-2H-chromen-6-yloxy)-N-methyl-3-phenylpropan-1-amine
SMILESCN(CCC(Oc1ccc2c(c1)CCCO2)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H29NO2/c1-27(20-21-9-4-2-5-10-21)17-16-26(22-11-6-3-7-12-22)29-24-14-15-25-23(19-24)13-8-18-28-25/h2-7,9-12,14-15,19,26H,8,13,16-18,20H2,1H3
InChIKeyCCJVLFHWLMOTDJ-UHFFFAOYSA-N
XLogP5.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-benzyl-N-methyl-3-(4-propan-2-ylphenoxy)propan-1-amine
CID 42869856
2-chloro-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylethanamine
CID 115214963
lithium 2-[[(3S)-3-(3,4-dichlorophenoxy)-3-phenylpropyl]-methylamino]acetate
CID 101120665
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201324
3,4-dihydro-2H-chromen-6-yl 2,2-dimethylpropanoate
CID 130250466
3-(3,4-dihydro-2H-chromen-6-yloxy)-N,N-dimethylpropanamide
CID 141195389
ethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate
CID 21019935
4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide
CID 120562483
6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene
CID 164630860
1-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200729
methyl (3R)-3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-3-phenylpropanoate
CID 94571944
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-phenylacetamide
CID 110790434

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3,4-dihydro-2H-chromen-6-yloxy)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of N-benzyl-3-(3,4-dihydro-2H-chromen-6-yloxy)-N-methyl-3-phenylpropan-1-amine (CID 12918943) is N-benzyl-3-(3,4-dihydro-2H-chromen-6-yloxy)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-(3,4-dihydro-2H-chromen-6-yloxy)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for N-benzyl-3-(3,4-dihydro-2H-chromen-6-yloxy)-N-methyl-3-phenylpropan-1-amine is CN(CCC(Oc1ccc2c(c1)CCCO2)c1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(3,4-dihydro-2H-chromen-6-yloxy)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is CCJVLFHWLMOTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-27(20-21-9-4-2-5-10-21)17-16-26(22-11-6-3-7-12-22)29-24-14-15-25-23(19-24)13-8-18-28-25/h2-7,9-12,14-15,19,26H,8,13,16-18,20H2,1H3.
What are the key properties of N-benzyl-3-(3,4-dihydro-2H-chromen-6-yloxy)-N-methyl-3-phenylpropan-1-amine?
N-benzyl-3-(3,4-dihydro-2H-chromen-6-yloxy)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 387.52 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3,4-dihydro-2H-chromen-6-yloxy)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 12918943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).