N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine

C17H20ClNO2 — CID 63099179

IUPACN-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine
SMILESClc1ccc(OCCNC2CCOCC2)c2ccccc12
InChIInChI=1S/C17H20ClNO2/c18-16-5-6-17(15-4-2-1-3-14(15)16)21-12-9-19-13-7-10-20-11-8-13/h1-6,13,19H,7-12H2
InChIKeyYIIFWFZNJHRSBR-UHFFFAOYSA-N
MW305.80 g/mol
LogP3.64
Rot. Bonds5

About N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine

N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine (PubChem CID 63099179) has the molecular formula C17H20ClNO2 and a molecular weight of 305.80 g/mol. Its IUPAC name is N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine
PubChem CID63099179
Molecular FormulaC17H20ClNO2
Molecular Weight305.80 g/mol
Exact Mass305.12
IUPAC NameN-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine
SMILESClc1ccc(OCCNC2CCOCC2)c2ccccc12
InChIInChI=1S/C17H20ClNO2/c18-16-5-6-17(15-4-2-1-3-14(15)16)21-12-9-19-13-7-10-20-11-8-13/h1-6,13,19H,7-12H2
InChIKeyYIIFWFZNJHRSBR-UHFFFAOYSA-N
XLogP3.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine
CID 83051103
N-[2-(2-bromo-4-fluorophenoxy)ethyl]oxan-4-amine
CID 63098308
N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine
CID 63097957
N-[2-(4-chloro-3-fluorophenoxy)ethyl]oxan-4-amine
CID 82727303
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]oxan-4-amine
CID 63100218
2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride
CID 6458435
N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine
CID 55181878
N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine
CID 63099519
2-[4-bromo-2-[3-(oxan-4-ylamino)propoxy]phenyl]-8-chlorochromen-4-one
CID 175908638
N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine
CID 2184430
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine
CID 56830393
2-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 2300272

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine?
The IUPAC name of N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine (CID 63099179) is N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine?
The canonical SMILES for N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine is Clc1ccc(OCCNC2CCOCC2)c2ccccc12.
What is the InChIKey of N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine?
The InChIKey is YIIFWFZNJHRSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c18-16-5-6-17(15-4-2-1-3-14(15)16)21-12-9-19-13-7-10-20-11-8-13/h1-6,13,19H,7-12H2.
What are the key properties of N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine?
N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine has a molecular weight of 305.80 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine is sourced from PubChem (CID 63099179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).