N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine

C16H21NO — CID 59083731

IUPACN,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
SMILESCN(C)CCCCOc1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-17(2)11-5-6-12-18-16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKeyFZSYCOKCSKXGOK-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.56
Rot. Bonds6

About N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine

N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine (PubChem CID 59083731) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
PubChem CID59083731
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
SMILESCN(C)CCCCOc1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-17(2)11-5-6-12-18-16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKeyFZSYCOKCSKXGOK-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 5333118
N,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine
CID 121353391
methyl(4-naphthalen-2-yloxybutyl)azanium
CID 7454605
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384
2-(9-bromononoxy)naphthalene
CID 105343234
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
CID 82224138
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413
10-anthracen-2-yloxydecane-1-thiol
CID 10808920
4-[4-(dimethylamino)butoxy]aniline
CID 11458449
2-(3-phenylpropoxy)naphthalene
CID 13432986
2-ethoxynaphthalene
CID 118978197

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine?
The IUPAC name of N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine (CID 59083731) is N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine?
The canonical SMILES for N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine is CN(C)CCCCOc1ccc2ccccc2c1.
What is the InChIKey of N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine?
The InChIKey is FZSYCOKCSKXGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-17(2)11-5-6-12-18-16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13H,5-6,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine?
N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine is sourced from PubChem (CID 59083731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).