1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine

C14H22ClNO — CID 103284016

IUPAC1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine
SMILESCCCC(C)COc1ccc(C(C)N)c(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-4-5-10(2)9-17-12-6-7-13(11(3)16)14(15)8-12/h6-8,10-11H,4-5,9,16H2,1-3H3
InChIKeyAPTGMUVUUQGKGM-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.17
Rot. Bonds6

About 1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine

1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine (PubChem CID 103284016) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine
PubChem CID103284016
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine
SMILESCCCC(C)COc1ccc(C(C)N)c(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-4-5-10(2)9-17-12-6-7-13(11(3)16)14(15)8-12/h6-8,10-11H,4-5,9,16H2,1-3H3
InChIKeyAPTGMUVUUQGKGM-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-pentan-2-yloxyphenyl)ethanamine
CID 102982374
1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol
CID 170640580
(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine
CID 107718803
(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine
CID 63367049
2-methoxy-4-(2-methylpentoxy)aniline
CID 103282930
1-[4-(4-butylphenoxy)-2-chlorophenyl]ethanamine
CID 115492766
2-bromo-1-fluoro-4-(2-methylpentoxy)benzene
CID 83233407
2-amino-4-(2-methylpentoxy)benzenesulfonamide
CID 103282924
5-(2-methylpentoxy)-2,3-dihydroinden-1-one
CID 107684058
2-amino-5-(2-methylpentoxy)benzamide
CID 103284498
2-chloro-4-(2-methylbutoxy)benzonitrile
CID 102674615
(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine
CID 170640480

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine (CID 103284016) is 1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine is CCCC(C)COc1ccc(C(C)N)c(Cl)c1.
What is the InChIKey of 1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine?
The InChIKey is APTGMUVUUQGKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-5-10(2)9-17-12-6-7-13(11(3)16)14(15)8-12/h6-8,10-11H,4-5,9,16H2,1-3H3.
What are the key properties of 1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine?
1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine has a molecular weight of 255.79 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine is sourced from PubChem (CID 103284016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).