2-(4-chloronaphthalen-1-yl)oxy-N,3-dimethylbutan-1-amine

C16H20ClNO — CID 62484155

IUPAC2-(4-chloronaphthalen-1-yl)oxy-N,3-dimethylbutan-1-amine
SMILESCNCC(Oc1ccc(Cl)c2ccccc12)C(C)C
InChIInChI=1S/C16H20ClNO/c1-11(2)16(10-18-3)19-15-9-8-14(17)12-6-4-5-7-13(12)15/h4-9,11,16,18H,10H2,1-3H3
InChIKeyLMHYHSZQWYGZJH-UHFFFAOYSA-N
MW277.79 g/mol
LogP4.12
Rot. Bonds5

About 2-(4-chloronaphthalen-1-yl)oxy-N,3-dimethylbutan-1-amine

2-(4-chloronaphthalen-1-yl)oxy-N,3-dimethylbutan-1-amine (PubChem CID 62484155) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxy-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxy-N,3-dimethylbutan-1-amine
PubChem CID62484155
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC Name2-(4-chloronaphthalen-1-yl)oxy-N,3-dimethylbutan-1-amine
SMILESCNCC(Oc1ccc(Cl)c2ccccc12)C(C)C
InChIInChI=1S/C16H20ClNO/c1-11(2)16(10-18-3)19-15-9-8-14(17)12-6-4-5-7-13(12)15/h4-9,11,16,18H,10H2,1-3H3
InChIKeyLMHYHSZQWYGZJH-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine
CID 62484684
3-(4-chloronaphthalen-1-yl)oxypentan-1-amine
CID 43804632
3-(4-chloronaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 15015312
1-chloro-4-methoxynaphthalene
CID 606038
N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine
CID 62450460
4-(4-chloronaphthalen-1-yl)oxypentanoic acid
CID 55047842
N-ethyl-3-methyl-2-naphthalen-1-yloxybutan-1-amine
CID 62459225
2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide
CID 76915869
(2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 8021477
3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide
CID 43804670
2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one
CID 4833725
N-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide
CID 25362280

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N,3-dimethylbutan-1-amine (CID 62484155) is 2-(4-chloronaphthalen-1-yl)oxy-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxy-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxy-N,3-dimethylbutan-1-amine is CNCC(Oc1ccc(Cl)c2ccccc12)C(C)C.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxy-N,3-dimethylbutan-1-amine?
The InChIKey is LMHYHSZQWYGZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-11(2)16(10-18-3)19-15-9-8-14(17)12-6-4-5-7-13(12)15/h4-9,11,16,18H,10H2,1-3H3.
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxy-N,3-dimethylbutan-1-amine?
2-(4-chloronaphthalen-1-yl)oxy-N,3-dimethylbutan-1-amine has a molecular weight of 277.79 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxy-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 62484155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).