N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine

C16H24ClNO — CID 55150511

IUPACN-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)C1CCCOC1
InChIInChI=1S/C16H24ClNO/c1-2-8-18-16(14-6-4-9-19-12-14)11-13-5-3-7-15(17)10-13/h3,5,7,10,14,16,18H,2,4,6,8-9,11-12H2,1H3
InChIKeyRRXCRWHBSSODDM-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine

N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine (PubChem CID 55150511) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
PubChem CID55150511
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)C1CCCOC1
InChIInChI=1S/C16H24ClNO/c1-2-8-18-16(14-6-4-9-19-12-14)11-13-5-3-7-15(17)10-13/h3,5,7,10,14,16,18H,2,4,6,8-9,11-12H2,1H3
InChIKeyRRXCRWHBSSODDM-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 62503594
N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63416041
N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79759444
2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 63015076
N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 55083879
N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 65331659
N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 63015432
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62907601
N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine
CID 103039853
N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine
CID 55020965
2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
CID 63528651

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine (CID 55150511) is N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1)C1CCCOC1.
What is the InChIKey of N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine?
The InChIKey is RRXCRWHBSSODDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-8-18-16(14-6-4-9-19-12-14)11-13-5-3-7-15(17)10-13/h3,5,7,10,14,16,18H,2,4,6,8-9,11-12H2,1H3.
What are the key properties of N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine?
N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 55150511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).