(2S,3S)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol

C18H25NO — CID 10244734

IUPAC(2S,3S)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol
SMILESCNC[C@H](c1ccc2ccccc2c1)[C@H](O)C(C)(C)C
InChIInChI=1S/C18H25NO/c1-18(2,3)17(20)16(12-19-4)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16-17,19-20H,12H2,1-4H3/t16-,17+/m1/s1
InChIKeyNMLVGYJWQMHSCP-SJORKVTESA-N
MW271.40 g/mol
LogP3.55
Rot. Bonds4

About (2S,3S)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol

(2S,3S)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol (PubChem CID 10244734) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (2S,3S)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol.

Molecular Properties

Compound Name(2S,3S)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol
PubChem CID10244734
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(2S,3S)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol
SMILESCNC[C@H](c1ccc2ccccc2c1)[C@H](O)C(C)(C)C
InChIInChI=1S/C18H25NO/c1-18(2,3)17(20)16(12-19-4)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16-17,19-20H,12H2,1-4H3/t16-,17+/m1/s1
InChIKeyNMLVGYJWQMHSCP-SJORKVTESA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol?
The IUPAC name of (2S,3S)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol (CID 10244734) is (2S,3S)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol.
What is the SMILES notation for (2S,3S)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol?
The canonical SMILES for (2S,3S)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol is CNC[C@H](c1ccc2ccccc2c1)[C@H](O)C(C)(C)C.
What is the InChIKey of (2S,3S)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol?
The InChIKey is NMLVGYJWQMHSCP-SJORKVTESA-N. The full InChI is InChI=1S/C18H25NO/c1-18(2,3)17(20)16(12-19-4)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16-17,19-20H,12H2,1-4H3/t16-,17+/m1/s1.
What are the key properties of (2S,3S)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol?
(2S,3S)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol has a molecular weight of 271.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol is sourced from PubChem (CID 10244734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).