1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine

C14H21F2NO — CID 170890371

IUPAC1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine
SMILESCCCOc1c(F)cc(CC(N)CC)c(C)c1F
InChIInChI=1S/C14H21F2NO/c1-4-6-18-14-12(15)8-10(7-11(17)5-2)9(3)13(14)16/h8,11H,4-7,17H2,1-3H3
InChIKeyULTGRYXIDKTUFQ-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.34
Rot. Bonds6

About 1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine

1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine (PubChem CID 170890371) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine
PubChem CID170890371
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine
SMILESCCCOc1c(F)cc(CC(N)CC)c(C)c1F
InChIInChI=1S/C14H21F2NO/c1-4-6-18-14-12(15)8-10(7-11(17)5-2)9(3)13(14)16/h8,11H,4-7,17H2,1-3H3
InChIKeyULTGRYXIDKTUFQ-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine
CID 170890380
1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890039
1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890397
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]butan-2-amine
CID 79888080
1-(2,4-difluoro-3-methylphenyl)butan-2-amine
CID 55254777
1-(3-bromo-2-propoxyphenyl)butan-2-amine
CID 61392389
1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine
CID 79887772
1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine
CID 170890367
2,3,5-trifluoro-4-hexoxyaniline
CID 118474907
1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine
CID 170890049
1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride
CID 170894273

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine?
The IUPAC name of 1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine (CID 170890371) is 1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine is CCCOc1c(F)cc(CC(N)CC)c(C)c1F.
What is the InChIKey of 1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine?
The InChIKey is ULTGRYXIDKTUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-4-6-18-14-12(15)8-10(7-11(17)5-2)9(3)13(14)16/h8,11H,4-7,17H2,1-3H3.
What are the key properties of 1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine?
1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine has a molecular weight of 257.32 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine is sourced from PubChem (CID 170890371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).