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

C18H25NO — CID 5333118

IUPACN,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
SMILESCCN(CC)CCCCOc1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-3-19(4-2)13-7-8-14-20-18-12-11-16-9-5-6-10-17(16)15-18/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3
InChIKeyBFSOPPVLXVOTKV-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.34
Rot. Bonds8

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

N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine (PubChem CID 5333118) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
PubChem CID5333118
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
SMILESCCN(CC)CCCCOc1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-3-19(4-2)13-7-8-14-20-18-12-11-16-9-5-6-10-17(16)15-18/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3
InChIKeyBFSOPPVLXVOTKV-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.34
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-dimethyl-4-naphthalen-2-yloxybutan-1-amine
CID 59083731
2-[ethyl(2-naphthalen-2-yloxyethyl)amino]acetic acid
CID 61011595
2-(9-bromononoxy)naphthalene
CID 105343234
N-ethyl-4-methoxy-N-(3-naphthalen-2-yloxypropyl)aniline
CID 10427088
methyl(4-naphthalen-2-yloxybutyl)azanium
CID 7454605
4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine
CID 2058010
2-ethoxynaphthalene
CID 118978197
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine
CID 46890082
4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 21465327
3-[4-(diethylamino)butoxy]xanthen-9-one
CID 25199046
2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid
CID 61007729

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine?
The IUPAC name of N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine (CID 5333118) is N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine.
What is the SMILES notation for N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine?
The canonical SMILES for N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine is CCN(CC)CCCCOc1ccc2ccccc2c1.
What is the InChIKey of N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine?
The InChIKey is BFSOPPVLXVOTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-19(4-2)13-7-8-14-20-18-12-11-16-9-5-6-10-17(16)15-18/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3.
What are the key properties of N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine?
N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine is sourced from PubChem (CID 5333118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).