1-(4-chloronaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine

C18H22ClNO — CID 79591927

IUPAC1-(4-chloronaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine
SMILESNC(CCC1CCCCO1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H22ClNO/c19-17-10-9-16(14-6-1-2-7-15(14)17)18(20)11-8-13-5-3-4-12-21-13/h1-2,6-7,9-10,13,18H,3-5,8,11-12,20H2
InChIKeyZACFGDHCCGNREN-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.84
Rot. Bonds4

About 1-(4-chloronaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine

1-(4-chloronaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine (PubChem CID 79591927) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine
PubChem CID79591927
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(4-chloronaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine
SMILESNC(CCC1CCCCO1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H22ClNO/c19-17-10-9-16(14-6-1-2-7-15(14)17)18(20)11-8-13-5-3-4-12-21-13/h1-2,6-7,9-10,13,18H,3-5,8,11-12,20H2
InChIKeyZACFGDHCCGNREN-UHFFFAOYSA-N
XLogP4.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromonaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine
CID 79589897
3-(oxan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990469
1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993670
3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine
CID 105035854
2-[3-chloro-3-(2,4-dichlorophenyl)propyl]oxane
CID 63951587
1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104789721
1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine
CID 115853074
1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
CID 63951729
1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953738
1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 106877357
1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951355
1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63950936

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine (CID 79591927) is 1-(4-chloronaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine is NC(CCC1CCCCO1)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine?
The InChIKey is ZACFGDHCCGNREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c19-17-10-9-16(14-6-1-2-7-15(14)17)18(20)11-8-13-5-3-4-12-21-13/h1-2,6-7,9-10,13,18H,3-5,8,11-12,20H2.
What are the key properties of 1-(4-chloronaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine?
1-(4-chloronaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 79591927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).