1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine

C14H22ClNO — CID 55135205

IUPAC1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCCC(C)C
InChIInChI=1S/C14H22ClNO/c1-10(2)7-8-17-14-6-5-12(15)9-13(14)11(3)16-4/h5-6,9-11,16H,7-8H2,1-4H3
InChIKeySRUYQDPMKNBLCI-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.05
Rot. Bonds6

About 1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine

1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine (PubChem CID 55135205) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine
PubChem CID55135205
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCCC(C)C
InChIInChI=1S/C14H22ClNO/c1-10(2)7-8-17-14-6-5-12(15)9-13(14)11(3)16-4/h5-6,9-11,16H,7-8H2,1-4H3
InChIKeySRUYQDPMKNBLCI-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-octoxyphenyl)-N-methylethanamine
CID 63499596
1-[5-chloro-2-(3-methylbut-3-enoxy)phenyl]-N-methylethanamine
CID 114471551
1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine
CID 103177693
1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine
CID 65369845
1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine
CID 63775283
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
CID 62073023
1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 103046401
2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 62074574
(1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol
CID 55189871
1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine
CID 102999718
2-(bromomethyl)-4-chloro-1-(3-methylbutoxy)benzene
CID 43141990
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine
CID 106861750

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine (CID 55135205) is 1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine is CNC(C)c1cc(Cl)ccc1OCCC(C)C.
What is the InChIKey of 1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine?
The InChIKey is SRUYQDPMKNBLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-10(2)7-8-17-14-6-5-12(15)9-13(14)11(3)16-4/h5-6,9-11,16H,7-8H2,1-4H3.
What are the key properties of 1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine?
1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine has a molecular weight of 255.79 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 55135205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).