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

C18H25NO — CID 20631914

IUPAC(2S,3R)-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-IAGOWNOFSA-N
MW271.40 g/mol
LogP3.55
Rot. Bonds4

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

(2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol (PubChem CID 20631914) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol.

Molecular Properties

Compound Name(2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol
PubChem CID20631914
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(2S,3R)-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-IAGOWNOFSA-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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Related Compounds

(1R,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631903
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
CID 68765069
(1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 67204623
3-(methylamino)-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol
CID 118675562
1-(methylamino)-2-naphthalen-2-ylheptan-3-ol
CID 70875702
(2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68762237
4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol
CID 68740901
(2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol
CID 68739670
N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 19847434
(3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68760026
(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124562243
(1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 86288293

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol?
The IUPAC name of (2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol (CID 20631914) is (2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol.
What is the SMILES notation for (2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol?
The canonical SMILES for (2S,3R)-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,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol?
The InChIKey is NMLVGYJWQMHSCP-IAGOWNOFSA-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,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol?
(2S,3R)-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,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol is sourced from PubChem (CID 20631914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).