1-(methylamino)-2-naphthalen-2-ylheptan-3-ol

C18H25NO — CID 70875702

IUPAC1-(methylamino)-2-naphthalen-2-ylheptan-3-ol
SMILESCCCCC(O)C(CNC)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-3-4-9-18(20)17(13-19-2)16-11-10-14-7-5-6-8-15(14)12-16/h5-8,10-12,17-20H,3-4,9,13H2,1-2H3
InChIKeyVBIQWVJQVGYQDF-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.69
Rot. Bonds7

About 1-(methylamino)-2-naphthalen-2-ylheptan-3-ol

1-(methylamino)-2-naphthalen-2-ylheptan-3-ol (PubChem CID 70875702) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(methylamino)-2-naphthalen-2-ylheptan-3-ol.

Molecular Properties

Compound Name1-(methylamino)-2-naphthalen-2-ylheptan-3-ol
PubChem CID70875702
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(methylamino)-2-naphthalen-2-ylheptan-3-ol
SMILESCCCCC(O)C(CNC)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-3-4-9-18(20)17(13-19-2)16-11-10-14-7-5-6-8-15(14)12-16/h5-8,10-12,17-20H,3-4,9,13H2,1-2H3
InChIKeyVBIQWVJQVGYQDF-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.69
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
(2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol
CID 20631914
(2R,3R)-1-chloro-2-naphthalen-2-ylhexan-3-ol
CID 162412283
(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
(2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68762237
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
(2R)-2-ethoxy-N-methyl-2-naphthalen-2-ylethanamine
CID 95001736
N-methyl-1-naphthalen-2-ylhexan-1-amine
CID 63416228
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

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-naphthalen-2-ylheptan-3-ol?
The IUPAC name of 1-(methylamino)-2-naphthalen-2-ylheptan-3-ol (CID 70875702) is 1-(methylamino)-2-naphthalen-2-ylheptan-3-ol.
What is the SMILES notation for 1-(methylamino)-2-naphthalen-2-ylheptan-3-ol?
The canonical SMILES for 1-(methylamino)-2-naphthalen-2-ylheptan-3-ol is CCCCC(O)C(CNC)c1ccc2ccccc2c1.
What is the InChIKey of 1-(methylamino)-2-naphthalen-2-ylheptan-3-ol?
The InChIKey is VBIQWVJQVGYQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-4-9-18(20)17(13-19-2)16-11-10-14-7-5-6-8-15(14)12-16/h5-8,10-12,17-20H,3-4,9,13H2,1-2H3.
What are the key properties of 1-(methylamino)-2-naphthalen-2-ylheptan-3-ol?
1-(methylamino)-2-naphthalen-2-ylheptan-3-ol has a molecular weight of 271.40 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-naphthalen-2-ylheptan-3-ol is sourced from PubChem (CID 70875702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).