1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine

C18H30ClNO — CID 104546055

IUPAC1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine
SMILESCCCCC(CC)C(NCCC)c1cc(Cl)ccc1OC
InChIInChI=1S/C18H30ClNO/c1-5-8-9-14(7-3)18(20-12-6-2)16-13-15(19)10-11-17(16)21-4/h10-11,13-14,18,20H,5-9,12H2,1-4H3
InChIKeyOCIYMKCVCUPXKZ-UHFFFAOYSA-N
MW311.90 g/mol
LogP5.61
Rot. Bonds10

About 1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine

1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine (PubChem CID 104546055) has the molecular formula C18H30ClNO and a molecular weight of 311.90 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine
PubChem CID104546055
Molecular FormulaC18H30ClNO
Molecular Weight311.90 g/mol
Exact Mass311.20
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine
SMILESCCCCC(CC)C(NCCC)c1cc(Cl)ccc1OC
InChIInChI=1S/C18H30ClNO/c1-5-8-9-14(7-3)18(20-12-6-2)16-13-15(19)10-11-17(16)21-4/h10-11,13-14,18,20H,5-9,12H2,1-4H3
InChIKeyOCIYMKCVCUPXKZ-UHFFFAOYSA-N
XLogP5.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.90
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine
CID 43561588
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 104545976
1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62789352
1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine
CID 104995108
1-(5-chloro-2-methoxyphenyl)-N-propylprop-2-en-1-amine
CID 105000957
N-[(2-bromofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
CID 106851959
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616949
1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
CID 43495501
1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
CID 115850316
N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
CID 106684608
1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 79053738
N-[(5-chloro-2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102840443

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine (CID 104546055) is 1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine is CCCCC(CC)C(NCCC)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine?
The InChIKey is OCIYMKCVCUPXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNO/c1-5-8-9-14(7-3)18(20-12-6-2)16-13-15(19)10-11-17(16)21-4/h10-11,13-14,18,20H,5-9,12H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine?
1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine has a molecular weight of 311.90 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine is sourced from PubChem (CID 104546055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).