3-[5-(6-phenylmethoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propan-1-amine

C24H27NO3 — CID 57177491

IUPAC3-[5-(6-phenylmethoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propan-1-amine
SMILESNCCCC1OCC(c2cccc3cc(OCc4ccccc4)ccc23)CO1
InChIInChI=1S/C24H27NO3/c25-13-5-10-24-27-16-20(17-28-24)22-9-4-8-19-14-21(11-12-23(19)22)26-15-18-6-2-1-3-7-18/h1-4,6-9,11-12,14,20,24H,5,10,13,15-17,25H2
InChIKeyKFTMOGJEMZLSSC-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.61
Rot. Bonds7

About 3-[5-(6-phenylmethoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propan-1-amine

3-[5-(6-phenylmethoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propan-1-amine (PubChem CID 57177491) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 3-[5-(6-phenylmethoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(6-phenylmethoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propan-1-amine
PubChem CID57177491
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name3-[5-(6-phenylmethoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propan-1-amine
SMILESNCCCC1OCC(c2cccc3cc(OCc4ccccc4)ccc23)CO1
InChIInChI=1S/C24H27NO3/c25-13-5-10-24-27-16-20(17-28-24)22-9-4-8-19-14-21(11-12-23(19)22)26-15-18-6-2-1-3-7-18/h1-4,6-9,11-12,14,20,24H,5,10,13,15-17,25H2
InChIKeyKFTMOGJEMZLSSC-UHFFFAOYSA-N
XLogP4.61
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one
CID 93211333
2-(2-chloro-4-phenylmethoxyphenyl)oxirane
CID 146020828
1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3925916
2-[9-(4-phenylmethoxyphenoxy)nonyl]oxirane
CID 54047202
(1S,9S)-5,13-bis(phenylmethoxy)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 101036078
N-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 102066251
1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene
CID 10794421
2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 11948118
8-(4-phenylmethoxyphenoxy)octan-1-amine
CID 16720538
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
2-[3-[(5-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol
CID 19027138
methyl 3-(6-phenylmethoxynaphthalen-1-yl)prop-2-enoate
CID 91160431

Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-phenylmethoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(6-phenylmethoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propan-1-amine (CID 57177491) is 3-[5-(6-phenylmethoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(6-phenylmethoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(6-phenylmethoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propan-1-amine is NCCCC1OCC(c2cccc3cc(OCc4ccccc4)ccc23)CO1.
What is the InChIKey of 3-[5-(6-phenylmethoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propan-1-amine?
The InChIKey is KFTMOGJEMZLSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c25-13-5-10-24-27-16-20(17-28-24)22-9-4-8-19-14-21(11-12-23(19)22)26-15-18-6-2-1-3-7-18/h1-4,6-9,11-12,14,20,24H,5,10,13,15-17,25H2.
What are the key properties of 3-[5-(6-phenylmethoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propan-1-amine?
3-[5-(6-phenylmethoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propan-1-amine has a molecular weight of 377.48 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-phenylmethoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propan-1-amine is sourced from PubChem (CID 57177491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).