N-[(3-tert-butyl-5-fluorophenyl)methyl]-N,1-dimethylpyrrolidin-3-amine

C17H27FN2 — CID 121458402

IUPACN-[(3-tert-butyl-5-fluorophenyl)methyl]-N,1-dimethylpyrrolidin-3-amine
SMILESCN1CCC(N(C)Cc2cc(F)cc(C(C)(C)C)c2)C1
InChIInChI=1S/C17H27FN2/c1-17(2,3)14-8-13(9-15(18)10-14)11-20(5)16-6-7-19(4)12-16/h8-10,16H,6-7,11-12H2,1-5H3
InChIKeyKAYPASCKFNAKEZ-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.26
Rot. Bonds3

About N-[(3-tert-butyl-5-fluorophenyl)methyl]-N,1-dimethylpyrrolidin-3-amine

N-[(3-tert-butyl-5-fluorophenyl)methyl]-N,1-dimethylpyrrolidin-3-amine (PubChem CID 121458402) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[(3-tert-butyl-5-fluorophenyl)methyl]-N,1-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-5-fluorophenyl)methyl]-N,1-dimethylpyrrolidin-3-amine
PubChem CID121458402
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC NameN-[(3-tert-butyl-5-fluorophenyl)methyl]-N,1-dimethylpyrrolidin-3-amine
SMILESCN1CCC(N(C)Cc2cc(F)cc(C(C)(C)C)c2)C1
InChIInChI=1S/C17H27FN2/c1-17(2,3)14-8-13(9-15(18)10-14)11-20(5)16-6-7-19(4)12-16/h8-10,16H,6-7,11-12H2,1-5H3
InChIKeyKAYPASCKFNAKEZ-UHFFFAOYSA-N
XLogP3.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 112646134
N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79705621
N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 2173507
4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82958502
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
CID 107902822
4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
CID 155020969
N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 55084699
2-[4-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]phenoxy]acetic acid
CID 91784125
1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 56586816
5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine
CID 117038950
N,1-dimethyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
CID 792378

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-5-fluorophenyl)methyl]-N,1-dimethylpyrrolidin-3-amine?
The IUPAC name of N-[(3-tert-butyl-5-fluorophenyl)methyl]-N,1-dimethylpyrrolidin-3-amine (CID 121458402) is N-[(3-tert-butyl-5-fluorophenyl)methyl]-N,1-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[(3-tert-butyl-5-fluorophenyl)methyl]-N,1-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-[(3-tert-butyl-5-fluorophenyl)methyl]-N,1-dimethylpyrrolidin-3-amine is CN1CCC(N(C)Cc2cc(F)cc(C(C)(C)C)c2)C1.
What is the InChIKey of N-[(3-tert-butyl-5-fluorophenyl)methyl]-N,1-dimethylpyrrolidin-3-amine?
The InChIKey is KAYPASCKFNAKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-17(2,3)14-8-13(9-15(18)10-14)11-20(5)16-6-7-19(4)12-16/h8-10,16H,6-7,11-12H2,1-5H3.
What are the key properties of N-[(3-tert-butyl-5-fluorophenyl)methyl]-N,1-dimethylpyrrolidin-3-amine?
N-[(3-tert-butyl-5-fluorophenyl)methyl]-N,1-dimethylpyrrolidin-3-amine has a molecular weight of 278.42 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-5-fluorophenyl)methyl]-N,1-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 121458402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).