[2-[1-(1,3-dioxolan-2-yl)-2-phenylethyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

C23H29NO3 — CID 57117563

IUPAC[2-[1-(1,3-dioxolan-2-yl)-2-phenylethyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESCOc1ccc2c(c1)CCC(C(Cc1ccccc1)C1OCCO1)C2CN
InChIInChI=1S/C23H29NO3/c1-25-18-8-10-19-17(14-18)7-9-20(22(19)15-24)21(23-26-11-12-27-23)13-16-5-3-2-4-6-16/h2-6,8,10,14,20-23H,7,9,11-13,15,24H2,1H3
InChIKeyBOVLRPRJDJHHQX-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.53
Rot. Bonds6

About [2-[1-(1,3-dioxolan-2-yl)-2-phenylethyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

[2-[1-(1,3-dioxolan-2-yl)-2-phenylethyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (PubChem CID 57117563) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is [2-[1-(1,3-dioxolan-2-yl)-2-phenylethyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[2-[1-(1,3-dioxolan-2-yl)-2-phenylethyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
PubChem CID57117563
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name[2-[1-(1,3-dioxolan-2-yl)-2-phenylethyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESCOc1ccc2c(c1)CCC(C(Cc1ccccc1)C1OCCO1)C2CN
InChIInChI=1S/C23H29NO3/c1-25-18-8-10-19-17(14-18)7-9-20(22(19)15-24)21(23-26-11-12-27-23)13-16-5-3-2-4-6-16/h2-6,8,10,14,20-23H,7,9,11-13,15,24H2,1H3
InChIKeyBOVLRPRJDJHHQX-UHFFFAOYSA-N
XLogP3.53
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[1-(1,3-dioxolan-2-yl)-4-phenylbutyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 57236398
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
2-[1-(1,3-dithian-2-yl)-2-phenylethyl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
CID 57054777
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619980
(2R)-6-methoxy-2-phenylmethoxy-3,4-dihydro-2H-chromene
CID 164682445
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
(3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide
CID 25139016
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 15029798
(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 101410052
6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64649458
2-[6-methoxy-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetaldehyde
CID 19830754

Frequently Asked Questions

What is the IUPAC name of [2-[1-(1,3-dioxolan-2-yl)-2-phenylethyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The IUPAC name of [2-[1-(1,3-dioxolan-2-yl)-2-phenylethyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (CID 57117563) is [2-[1-(1,3-dioxolan-2-yl)-2-phenylethyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.
What is the SMILES notation for [2-[1-(1,3-dioxolan-2-yl)-2-phenylethyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The canonical SMILES for [2-[1-(1,3-dioxolan-2-yl)-2-phenylethyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is COc1ccc2c(c1)CCC(C(Cc1ccccc1)C1OCCO1)C2CN.
What is the InChIKey of [2-[1-(1,3-dioxolan-2-yl)-2-phenylethyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The InChIKey is BOVLRPRJDJHHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-25-18-8-10-19-17(14-18)7-9-20(22(19)15-24)21(23-26-11-12-27-23)13-16-5-3-2-4-6-16/h2-6,8,10,14,20-23H,7,9,11-13,15,24H2,1H3.
What are the key properties of [2-[1-(1,3-dioxolan-2-yl)-2-phenylethyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
[2-[1-(1,3-dioxolan-2-yl)-2-phenylethyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine has a molecular weight of 367.49 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(1,3-dioxolan-2-yl)-2-phenylethyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is sourced from PubChem (CID 57117563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).