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

C15H24ClNO — CID 104545976

IUPAC1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClNO/c1-5-7-11(3)15(17-6-2)13-10-12(16)8-9-14(13)18-4/h8-11,15,17H,5-7H2,1-4H3
InChIKeySVCUWKGQOVVLFQ-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.44
Rot. Bonds7

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

1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine (PubChem CID 104545976) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
PubChem CID104545976
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClNO/c1-5-7-11(3)15(17-6-2)13-10-12(16)8-9-14(13)18-4/h8-11,15,17H,5-7H2,1-4H3
InChIKeySVCUWKGQOVVLFQ-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616949
1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43492728
4-chloro-2-(1-chloro-2-methylpentyl)-1-methoxybenzene
CID 104546269
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845507
2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
CID 114012916
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43562095
2-(5-chloro-2-methoxyphenyl)-3-methylhexanenitrile
CID 107886167
2-(1-bromobutyl)-4-chloro-1-methoxybenzene
CID 104546547
[1-(5-chloro-2-methoxyphenyl)-2-methoxypentyl]hydrazine
CID 105271901
1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine
CID 104546055
1-(2-chlorofuran-3-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893430
3-(5-chloro-2-methoxyphenyl)-N-ethylbutan-1-amine
CID 81019509

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine (CID 104545976) is 1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine is CCCC(C)C(NCC)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine?
The InChIKey is SVCUWKGQOVVLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-5-7-11(3)15(17-6-2)13-10-12(16)8-9-14(13)18-4/h8-11,15,17H,5-7H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine?
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.44, 7 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)-N-ethyl-2-methylpentan-1-amine is sourced from PubChem (CID 104545976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).