N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine

C17H26ClNO2 — CID 116765198

IUPACN-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)C1(OC)CCOCC1
InChIInChI=1S/C17H26ClNO2/c1-3-9-19-16(13-14-5-4-6-15(18)12-14)17(20-2)7-10-21-11-8-17/h4-6,12,16,19H,3,7-11,13H2,1-2H3
InChIKeyVQVLOTNLHWTIPU-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.45
Rot. Bonds7

About N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine

N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine (PubChem CID 116765198) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
PubChem CID116765198
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC NameN-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)C1(OC)CCOCC1
InChIInChI=1S/C17H26ClNO2/c1-3-9-19-16(13-14-5-4-6-15(18)12-14)17(20-2)7-10-21-11-8-17/h4-6,12,16,19H,3,7-11,13H2,1-2H3
InChIKeyVQVLOTNLHWTIPU-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116765000
N-[2-(3-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763420
N-[1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 116765216
N-[2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765144
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
CID 116765885
2-(3-chlorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714621
N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine
CID 116765029
N-[1-(1-methoxycyclobutyl)-2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 116714829
N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714808
N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106827637
2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764901
N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine
CID 116763351

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine (CID 116765198) is N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1)C1(OC)CCOCC1.
What is the InChIKey of N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine?
The InChIKey is VQVLOTNLHWTIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-3-9-19-16(13-14-5-4-6-15(18)12-14)17(20-2)7-10-21-11-8-17/h4-6,12,16,19H,3,7-11,13H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine?
N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine has a molecular weight of 311.85 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 116765198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).