4-(4-chlorophenoxy)-2-ethoxybutan-1-amine

C12H18ClNO2 — CID 63071445

IUPAC4-(4-chlorophenoxy)-2-ethoxybutan-1-amine
SMILESCCOC(CN)CCOc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2/c1-2-15-12(9-14)7-8-16-11-5-3-10(13)4-6-11/h3-6,12H,2,7-9,14H2,1H3
InChIKeyDOLKYMOJVKGURR-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.47
Rot. Bonds7

About 4-(4-chlorophenoxy)-2-ethoxybutan-1-amine

4-(4-chlorophenoxy)-2-ethoxybutan-1-amine (PubChem CID 63071445) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-2-ethoxybutan-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-2-ethoxybutan-1-amine
PubChem CID63071445
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name4-(4-chlorophenoxy)-2-ethoxybutan-1-amine
SMILESCCOC(CN)CCOc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2/c1-2-15-12(9-14)7-8-16-11-5-3-10(13)4-6-11/h3-6,12H,2,7-9,14H2,1H3
InChIKeyDOLKYMOJVKGURR-UHFFFAOYSA-N
XLogP2.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenoxy)-2-ethoxybutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-4-(4-ethylphenoxy)butan-1-amine
CID 63072009
2-ethoxy-4-phenoxybutan-1-amine
CID 63070117
4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine
CID 55146669
4-(4-bromo-3-fluorophenoxy)-2-ethoxybutan-1-amine
CID 65203796
2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine
CID 63071638
2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine
CID 64854417
4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine
CID 63071626
4-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethoxybutan-1-amine
CID 102714329
4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine
CID 63071046
3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine
CID 63069685
4-(3-bromo-5-fluorophenoxy)-2-ethoxybutan-1-amine
CID 81332335
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-2-ethoxybutan-1-amine?
The IUPAC name of 4-(4-chlorophenoxy)-2-ethoxybutan-1-amine (CID 63071445) is 4-(4-chlorophenoxy)-2-ethoxybutan-1-amine.
What is the SMILES notation for 4-(4-chlorophenoxy)-2-ethoxybutan-1-amine?
The canonical SMILES for 4-(4-chlorophenoxy)-2-ethoxybutan-1-amine is CCOC(CN)CCOc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-2-ethoxybutan-1-amine?
The InChIKey is DOLKYMOJVKGURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-2-15-12(9-14)7-8-16-11-5-3-10(13)4-6-11/h3-6,12H,2,7-9,14H2,1H3.
What are the key properties of 4-(4-chlorophenoxy)-2-ethoxybutan-1-amine?
4-(4-chlorophenoxy)-2-ethoxybutan-1-amine has a molecular weight of 243.73 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-2-ethoxybutan-1-amine is sourced from PubChem (CID 63071445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).