4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine

C14H22FNO — CID 112518328

IUPAC4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine
SMILESCOc1ccc(CCC(C)NC(C)C)cc1F
InChIInChI=1S/C14H22FNO/c1-10(2)16-11(3)5-6-12-7-8-14(17-4)13(15)9-12/h7-11,16H,5-6H2,1-4H3
InChIKeyPGVZJZQBXGZGBP-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.15
Rot. Bonds6

About 4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine

4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine (PubChem CID 112518328) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine
PubChem CID112518328
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine
SMILESCOc1ccc(CCC(C)NC(C)C)cc1F
InChIInChI=1S/C14H22FNO/c1-10(2)16-11(3)5-6-12-7-8-14(17-4)13(15)9-12/h7-11,16H,5-6H2,1-4H3
InChIKeyPGVZJZQBXGZGBP-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine
CID 64503531
5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305492
N-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine
CID 65303172
4-(3-chlorohexyl)-2-fluoro-1-methoxybenzene
CID 63460549
4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine
CID 112519015
4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine
CID 82540176
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol
CID 94681852
(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318455
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbutanamide
CID 120500446
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252560

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine (CID 112518328) is 4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine is COc1ccc(CCC(C)NC(C)C)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine?
The InChIKey is PGVZJZQBXGZGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-10(2)16-11(3)5-6-12-7-8-14(17-4)13(15)9-12/h7-11,16H,5-6H2,1-4H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine?
4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 112518328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).