1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine

C12H18FN — CID 62791857

IUPAC1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine
SMILESCc1cc(F)ccc1C(N)CC(C)C
InChIInChI=1S/C12H18FN/c1-8(2)6-12(14)11-5-4-10(13)7-9(11)3/h4-5,7-8,12H,6,14H2,1-3H3
InChIKeyYMYSGDMICVAGAJ-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.18
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine

1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine (PubChem CID 62791857) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine
PubChem CID62791857
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine
SMILESCc1cc(F)ccc1C(N)CC(C)C
InChIInChI=1S/C12H18FN/c1-8(2)6-12(14)11-5-4-10(13)7-9(11)3/h4-5,7-8,12H,6,14H2,1-3H3
InChIKeyYMYSGDMICVAGAJ-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine
CID 62945198
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
(1S)-1-(4-fluoro-2-methylphenyl)butan-1-amine;hydrochloride
CID 171221352
(1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171204622
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 55264636
(1R)-1-(4-fluoro-2-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171201812
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride
CID 162344714
1-(4-fluoro-2-methylphenyl)-2-phenylethanamine
CID 62790331
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205367
1-(2,4-difluoro-5-methylphenyl)-3-methylbutan-1-amine
CID 79724390

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine (CID 62791857) is 1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine is Cc1cc(F)ccc1C(N)CC(C)C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine?
The InChIKey is YMYSGDMICVAGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-8(2)6-12(14)11-5-4-10(13)7-9(11)3/h4-5,7-8,12H,6,14H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine?
1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 62791857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).