1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine

C17H20ClNO — CID 63802763

IUPAC1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C17H20ClNO/c1-3-15(19)11-13-4-7-17(10-12(13)2)20-16-8-5-14(18)6-9-16/h4-10,15H,3,11,19H2,1-2H3
InChIKeyMGPDDOPRQFHXTB-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.72
Rot. Bonds5

About 1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine

1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine (PubChem CID 63802763) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine
PubChem CID63802763
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C17H20ClNO/c1-3-15(19)11-13-4-7-17(10-12(13)2)20-16-8-5-14(18)6-9-16/h4-10,15H,3,11,19H2,1-2H3
InChIKeyMGPDDOPRQFHXTB-UHFFFAOYSA-N
XLogP4.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine
CID 82718867
1-(4-ethoxy-2-methylphenyl)butan-2-amine
CID 13209708
1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine
CID 63802262
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221727
1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine
CID 114862793
1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine
CID 63801756
1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 114862972
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]propan-1-amine
CID 63552365
1-[2-(3,4-dimethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63802435
1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890309
1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine
CID 114862712
5-(4-chlorophenoxy)-2-methylaniline
CID 91301479

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine?
The IUPAC name of 1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine (CID 63802763) is 1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine is CCC(N)Cc1ccc(Oc2ccc(Cl)cc2)cc1C.
What is the InChIKey of 1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine?
The InChIKey is MGPDDOPRQFHXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-15(19)11-13-4-7-17(10-12(13)2)20-16-8-5-14(18)6-9-16/h4-10,15H,3,11,19H2,1-2H3.
What are the key properties of 1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine?
1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine has a molecular weight of 289.81 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine is sourced from PubChem (CID 63802763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).