3-methoxy-1-naphthalen-1-ylpentan-2-amine

C16H21NO — CID 116715173

IUPAC3-methoxy-1-naphthalen-1-ylpentan-2-amine
SMILESCCC(OC)C(N)Cc1cccc2ccccc12
InChIInChI=1S/C16H21NO/c1-3-16(18-2)15(17)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10,15-16H,3,11,17H2,1-2H3
InChIKeyDYKJCCZZNMNSLK-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.13
Rot. Bonds5

About 3-methoxy-1-naphthalen-1-ylpentan-2-amine

3-methoxy-1-naphthalen-1-ylpentan-2-amine (PubChem CID 116715173) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-methoxy-1-naphthalen-1-ylpentan-2-amine.

Molecular Properties

Compound Name3-methoxy-1-naphthalen-1-ylpentan-2-amine
PubChem CID116715173
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3-methoxy-1-naphthalen-1-ylpentan-2-amine
SMILESCCC(OC)C(N)Cc1cccc2ccccc12
InChIInChI=1S/C16H21NO/c1-3-16(18-2)15(17)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10,15-16H,3,11,17H2,1-2H3
InChIKeyDYKJCCZZNMNSLK-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-naphthalen-1-ylbutan-2-amine
CID 79616440
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
1-cyclopropyl-1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 116721971
3-methyl-1-naphthalen-1-ylhexan-2-amine
CID 61078654
1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 62603537
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
4-methoxy-1-naphthalen-1-ylbutan-2-amine
CID 61079778
1-(2,2-diethoxyethyl)naphthalene
CID 146004800
3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine
CID 62678617
1-(2,4-difluorophenyl)-3-methoxypentan-2-amine
CID 116715118
(2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine
CID 135132665
1-[2-(chloromethyl)butyl]naphthalene
CID 66034781

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-naphthalen-1-ylpentan-2-amine?
The IUPAC name of 3-methoxy-1-naphthalen-1-ylpentan-2-amine (CID 116715173) is 3-methoxy-1-naphthalen-1-ylpentan-2-amine.
What is the SMILES notation for 3-methoxy-1-naphthalen-1-ylpentan-2-amine?
The canonical SMILES for 3-methoxy-1-naphthalen-1-ylpentan-2-amine is CCC(OC)C(N)Cc1cccc2ccccc12.
What is the InChIKey of 3-methoxy-1-naphthalen-1-ylpentan-2-amine?
The InChIKey is DYKJCCZZNMNSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-16(18-2)15(17)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10,15-16H,3,11,17H2,1-2H3.
What are the key properties of 3-methoxy-1-naphthalen-1-ylpentan-2-amine?
3-methoxy-1-naphthalen-1-ylpentan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-naphthalen-1-ylpentan-2-amine is sourced from PubChem (CID 116715173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).