N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine

C14H22FN — CID 158055117

IUPACN-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(C(C)(C)C)c(F)c1
InChIInChI=1S/C14H22FN/c1-10(2)16-9-11-6-7-12(13(15)8-11)14(3,4)5/h6-8,10,16H,9H2,1-5H3
InChIKeyZELRBDRDBDUVQP-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.62
Rot. Bonds3

About N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine

N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine (PubChem CID 158055117) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine
PubChem CID158055117
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC NameN-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(C(C)(C)C)c(F)c1
InChIInChI=1S/C14H22FN/c1-10(2)16-9-11-6-7-12(13(15)8-11)14(3,4)5/h6-8,10,16H,9H2,1-5H3
InChIKeyZELRBDRDBDUVQP-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-tert-butyl-3-(18F)fluorophenyl)methanamine
CID 59678658
2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
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N-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]propan-2-amine
CID 103615857
N-[[3-(2,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61033377
N-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
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N-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine
CID 81447354
1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene
CID 155445804
N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine
CID 62491870
N-[(3-ethynyl-4-fluorophenyl)methyl]propan-2-amine
CID 130535101
2-fluoro-4-[(propan-2-ylamino)methyl]-N-propylbenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine (CID 158055117) is N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine is CC(C)NCc1ccc(C(C)(C)C)c(F)c1.
What is the InChIKey of N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine?
The InChIKey is ZELRBDRDBDUVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-10(2)16-9-11-6-7-12(13(15)8-11)14(3,4)5/h6-8,10,16H,9H2,1-5H3.
What are the key properties of N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine?
N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine has a molecular weight of 223.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 158055117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).