2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol

C15H25ClN2O2 — CID 83937610

IUPAC2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol
SMILESCCOc1cc(C)c(Cl)cc1C(O)C(N)CCN(C)C
InChIInChI=1S/C15H25ClN2O2/c1-5-20-14-8-10(2)12(16)9-11(14)15(19)13(17)6-7-18(3)4/h8-9,13,15,19H,5-7,17H2,1-4H3
InChIKeyJOCXBVDPBUNHGB-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.36
Rot. Bonds7

About 2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol

2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol (PubChem CID 83937610) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol.

Molecular Properties

Compound Name2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol
PubChem CID83937610
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol
SMILESCCOc1cc(C)c(Cl)cc1C(O)C(N)CCN(C)C
InChIInChI=1S/C15H25ClN2O2/c1-5-20-14-8-10(2)12(16)9-11(14)15(19)13(17)6-7-18(3)4/h8-9,13,15,19H,5-7,17H2,1-4H3
InChIKeyJOCXBVDPBUNHGB-UHFFFAOYSA-N
XLogP2.36
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)-4-(dimethylamino)butan-1-ol
CID 83937865
2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol
CID 83944016
3-amino-3-(5-chloro-2-ethoxy-4-methylphenyl)propanoic acid
CID 4021596
2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol
CID 83939948
2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol
CID 83943899
2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
CID 83942311
2-[2-amino-4-(dimethylamino)-1-hydroxybutyl]-4-methylphenol
CID 83922845
2-[2-(5-chloro-2-ethoxy-4-methylphenyl)propyl]propane-1,3-diamine
CID 83937594
5-(5-chloro-2-ethoxy-4-methylphenyl)heptane-2,3-diol
CID 83937694
5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine
CID 83937769
2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol
CID 83920924
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol?
The IUPAC name of 2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol (CID 83937610) is 2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol.
What is the SMILES notation for 2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol?
The canonical SMILES for 2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol is CCOc1cc(C)c(Cl)cc1C(O)C(N)CCN(C)C.
What is the InChIKey of 2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol?
The InChIKey is JOCXBVDPBUNHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2/c1-5-20-14-8-10(2)12(16)9-11(14)15(19)13(17)6-7-18(3)4/h8-9,13,15,19H,5-7,17H2,1-4H3.
What are the key properties of 2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol?
2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol has a molecular weight of 300.83 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol is sourced from PubChem (CID 83937610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).