(4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine

C19H30FN — CID 106881648

IUPAC(4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2CCC(C(C)(C)C)CC2)c(F)c1
InChIInChI=1S/C19H30FN/c1-12-10-13(2)17(16(20)11-12)18(21)14-6-8-15(9-7-14)19(3,4)5/h10-11,14-15,18H,6-9,21H2,1-5H3
InChIKeyQULFIYGJPFUZRJ-UHFFFAOYSA-N
MW291.45 g/mol
LogP5.29
Rot. Bonds2

About (4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine

(4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine (PubChem CID 106881648) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
PubChem CID106881648
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC Name(4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2CCC(C(C)(C)C)CC2)c(F)c1
InChIInChI=1S/C19H30FN/c1-12-10-13(2)17(16(20)11-12)18(21)14-6-8-15(9-7-14)19(3,4)5/h10-11,14-15,18H,6-9,21H2,1-5H3
InChIKeyQULFIYGJPFUZRJ-UHFFFAOYSA-N
XLogP5.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 63522356
(3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881656
(2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine
CID 106881667
2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol
CID 130674108
(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968
cycloheptyl-(2,4,6-trimethylphenyl)methanamine
CID 63522004
2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883593
4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937242
tert-butyl 3-[amino-(2-fluoro-4,6-dimethylphenyl)methyl]pyrrolidine-1-carboxylate
CID 107092794
(4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine
CID 65402354
(1,1-dioxothian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883860
(3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 104989384

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The IUPAC name of (4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine (CID 106881648) is (4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The canonical SMILES for (4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine is Cc1cc(C)c(C(N)C2CCC(C(C)(C)C)CC2)c(F)c1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The InChIKey is QULFIYGJPFUZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-12-10-13(2)17(16(20)11-12)18(21)14-6-8-15(9-7-14)19(3,4)5/h10-11,14-15,18H,6-9,21H2,1-5H3.
What are the key properties of (4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
(4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine has a molecular weight of 291.45 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106881648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).