N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine

C17H25ClFN — CID 103041178

IUPACN-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine
SMILESCC(C)(C)NCC(C)(Cc1ccc(F)c(Cl)c1)C1CC1
InChIInChI=1S/C17H25ClFN/c1-16(2,3)20-11-17(4,13-6-7-13)10-12-5-8-15(19)14(18)9-12/h5,8-9,13,20H,6-7,10-11H2,1-4H3
InChIKeyPGXNMUJEFYFJEP-UHFFFAOYSA-N
MW297.85 g/mol
LogP4.83
Rot. Bonds5

About N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine

N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine (PubChem CID 103041178) has the molecular formula C17H25ClFN and a molecular weight of 297.85 g/mol. Its IUPAC name is N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine
PubChem CID103041178
Molecular FormulaC17H25ClFN
Molecular Weight297.85 g/mol
Exact Mass297.17
IUPAC NameN-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine
SMILESCC(C)(C)NCC(C)(Cc1ccc(F)c(Cl)c1)C1CC1
InChIInChI=1S/C17H25ClFN/c1-16(2,3)20-11-17(4,13-6-7-13)10-12-5-8-15(19)14(18)9-12/h5,8-9,13,20H,6-7,10-11H2,1-4H3
InChIKeyPGXNMUJEFYFJEP-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[(3-chloro-4-fluorophenyl)methyl]-2-methylpentan-1-amine
CID 103041062
2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 83147897
N-tert-butyl-4-(3-chloro-4-fluorophenyl)-3,3-dimethylbutan-1-amine
CID 103042326
1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene
CID 107893302
3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine
CID 83159708
N-tert-butyl-3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-amine
CID 83150527
3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine
CID 83148247
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 63476637
1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine
CID 82649708
3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83159897
3-(3-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 103041034
1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 103038887

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine (CID 103041178) is N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine is CC(C)(C)NCC(C)(Cc1ccc(F)c(Cl)c1)C1CC1.
What is the InChIKey of N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine?
The InChIKey is PGXNMUJEFYFJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-16(2,3)20-11-17(4,13-6-7-13)10-12-5-8-15(19)14(18)9-12/h5,8-9,13,20H,6-7,10-11H2,1-4H3.
What are the key properties of N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine?
N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine has a molecular weight of 297.85 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine is sourced from PubChem (CID 103041178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).