3-naphthalen-1-yloxybutan-2-amine

C14H17NO — CID 61353767

IUPAC3-naphthalen-1-yloxybutan-2-amine
SMILESCC(N)C(C)Oc1cccc2ccccc12
InChIInChI=1S/C14H17NO/c1-10(15)11(2)16-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,15H2,1-2H3
InChIKeyLAFMDTLGILWNEC-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.95
Rot. Bonds3

About 3-naphthalen-1-yloxybutan-2-amine

3-naphthalen-1-yloxybutan-2-amine (PubChem CID 61353767) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-naphthalen-1-yloxybutan-2-amine.

Molecular Properties

Compound Name3-naphthalen-1-yloxybutan-2-amine
PubChem CID61353767
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-naphthalen-1-yloxybutan-2-amine
SMILESCC(N)C(C)Oc1cccc2ccccc12
InChIInChI=1S/C14H17NO/c1-10(15)11(2)16-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,15H2,1-2H3
InChIKeyLAFMDTLGILWNEC-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-yloxypropan-1-ol
CID 13259427
1-(1-naphthalen-1-yloxypropan-2-yloxy)naphthalene
CID 67649919
1-pent-3-yn-2-yloxynaphthalene
CID 21290400
naphthalen-1-yl (2R)-2-aminopropanoate
CID 18639263
(2R)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980356
(2S)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980355
1-(furan-2-yl)-3-methyl-1-naphthalen-1-yloxybutan-2-amine
CID 175064784
2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol
CID 64804569
1-(1-naphthalen-2-yloxyethoxy)naphthalene
CID 173215888
methylamino(naphthalen-1-yloxy)methanol
CID 173197602
N-ethyl-3-methyl-2-naphthalen-1-yloxybutan-1-amine
CID 62459225
1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanamine
CID 60880695

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yloxybutan-2-amine?
The IUPAC name of 3-naphthalen-1-yloxybutan-2-amine (CID 61353767) is 3-naphthalen-1-yloxybutan-2-amine.
What is the SMILES notation for 3-naphthalen-1-yloxybutan-2-amine?
The canonical SMILES for 3-naphthalen-1-yloxybutan-2-amine is CC(N)C(C)Oc1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-yloxybutan-2-amine?
The InChIKey is LAFMDTLGILWNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(15)11(2)16-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,15H2,1-2H3.
What are the key properties of 3-naphthalen-1-yloxybutan-2-amine?
3-naphthalen-1-yloxybutan-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yloxybutan-2-amine is sourced from PubChem (CID 61353767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).