4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine

C16H20ClNO2 — CID 63071626

IUPAC4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine
SMILESCCOC(CN)CCOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H20ClNO2/c1-2-19-12(11-18)9-10-20-16-8-7-15(17)13-5-3-4-6-14(13)16/h3-8,12H,2,9-11,18H2,1H3
InChIKeyISUPYKBKKGUQOY-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.63
Rot. Bonds7

About 4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine

4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine (PubChem CID 63071626) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine.

Molecular Properties

Compound Name4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine
PubChem CID63071626
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine
SMILESCCOC(CN)CCOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H20ClNO2/c1-2-19-12(11-18)9-10-20-16-8-7-15(17)13-5-3-4-6-14(13)16/h3-8,12H,2,9-11,18H2,1H3
InChIKeyISUPYKBKKGUQOY-UHFFFAOYSA-N
XLogP3.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine
CID 55146669
2-ethoxy-4-phenoxybutan-1-amine
CID 63070117
1-chloro-4-(2-ethoxyethoxy)naphthalene
CID 112769647
2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine
CID 55145902
4-(4-chlorophenoxy)-2-ethoxybutan-1-amine
CID 63071445
4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine
CID 63071046
3-(4-chloronaphthalen-1-yl)oxypentan-1-amine
CID 43804632
2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine
CID 63071638
2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride
CID 6458435
2-ethoxy-4-quinolin-8-yloxybutan-1-amine
CID 55146476
(2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine
CID 2181440
2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine
CID 64854417

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine?
The IUPAC name of 4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine (CID 63071626) is 4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine.
What is the SMILES notation for 4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine?
The canonical SMILES for 4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine is CCOC(CN)CCOc1ccc(Cl)c2ccccc12.
What is the InChIKey of 4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine?
The InChIKey is ISUPYKBKKGUQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-2-19-12(11-18)9-10-20-16-8-7-15(17)13-5-3-4-6-14(13)16/h3-8,12H,2,9-11,18H2,1H3.
What are the key properties of 4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine?
4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine has a molecular weight of 293.79 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine is sourced from PubChem (CID 63071626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).