(1R,4R)-4-[(2-propan-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C17H25NO2 — CID 135034990

IUPAC(1R,4R)-4-[(2-propan-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)C1(C[C@H]2CC[C@@H](N)c3ccccc32)OCCO1
InChIInChI=1S/C17H25NO2/c1-12(2)17(19-9-10-20-17)11-13-7-8-16(18)15-6-4-3-5-14(13)15/h3-6,12-13,16H,7-11,18H2,1-2H3/t13-,16-/m1/s1
InChIKeyFJQVDNKZYVVFGM-CZUORRHYSA-N
MW275.39 g/mol
LogP3.35
Rot. Bonds3

About (1R,4R)-4-[(2-propan-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

(1R,4R)-4-[(2-propan-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 135034990) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (1R,4R)-4-[(2-propan-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R,4R)-4-[(2-propan-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID135034990
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(1R,4R)-4-[(2-propan-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)C1(C[C@H]2CC[C@@H](N)c3ccccc32)OCCO1
InChIInChI=1S/C17H25NO2/c1-12(2)17(19-9-10-20-17)11-13-7-8-16(18)15-6-4-3-5-14(13)15/h3-6,12-13,16H,7-11,18H2,1-2H3/t13-,16-/m1/s1
InChIKeyFJQVDNKZYVVFGM-CZUORRHYSA-N
XLogP3.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-[(2-propan-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R,4R)-4-[(2-propan-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 135034990) is (1R,4R)-4-[(2-propan-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R,4R)-4-[(2-propan-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R,4R)-4-[(2-propan-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CC(C)C1(C[C@H]2CC[C@@H](N)c3ccccc32)OCCO1.
What is the InChIKey of (1R,4R)-4-[(2-propan-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FJQVDNKZYVVFGM-CZUORRHYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)17(19-9-10-20-17)11-13-7-8-16(18)15-6-4-3-5-14(13)15/h3-6,12-13,16H,7-11,18H2,1-2H3/t13-,16-/m1/s1.
What are the key properties of (1R,4R)-4-[(2-propan-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R,4R)-4-[(2-propan-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-[(2-propan-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 135034990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).