2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine

C14H20ClNO — CID 79443258

IUPAC2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESNCC(CCC1CCCO1)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c15-13-4-1-3-11(9-13)12(10-16)6-7-14-5-2-8-17-14/h1,3-4,9,12,14H,2,5-8,10,16H2
InChIKeyRPXCDGNIBQZWEL-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.34
Rot. Bonds5

About 2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine

2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 79443258) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID79443258
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESNCC(CCC1CCCO1)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c15-13-4-1-3-11(9-13)12(10-16)6-7-14-5-2-8-17-14/h1,3-4,9,12,14H,2,5-8,10,16H2
InChIKeyRPXCDGNIBQZWEL-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine
CID 79443640
N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine
CID 79443247
2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 79433188
2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine
CID 114192546
2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 79429959
2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 79443477
2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol
CID 66060580
2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79421800
1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115812068
1-(4-chloro-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167483
[1-(2,5-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105302010
[1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314231

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine (CID 79443258) is 2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine is NCC(CCC1CCCO1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is RPXCDGNIBQZWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-13-4-1-3-11(9-13)12(10-16)6-7-14-5-2-8-17-14/h1,3-4,9,12,14H,2,5-8,10,16H2.
What are the key properties of 2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine?
2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 79443258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).