4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine

C18H28FN — CID 65089483

IUPAC4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(N)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H28FN/c1-17(2,3)15-7-5-10-18(20,11-9-15)13-14-6-4-8-16(19)12-14/h4,6,8,12,15H,5,7,9-11,13,20H2,1-3H3
InChIKeyRYOYWGPVTJQALH-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.69
Rot. Bonds2

About 4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine

4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine (PubChem CID 65089483) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine
PubChem CID65089483
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(N)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H28FN/c1-17(2,3)15-7-5-10-18(20,11-9-15)13-14-6-4-8-16(19)12-14/h4,6,8,12,15H,5,7,9-11,13,20H2,1-3H3
InChIKeyRYOYWGPVTJQALH-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60799490
4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104735914
4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine
CID 65090155
2-cyclopentyl-1-(3-fluorophenyl)propan-2-amine
CID 114834091
4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
CID 63408034
1-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcycloheptan-1-amine
CID 65089915
1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086856
1-[(3-bromophenyl)methyl]-4-tert-butylcycloheptan-1-ol
CID 65094519
1-[(4-bromothiophen-2-yl)methyl]-4-tert-butylcycloheptan-1-amine
CID 65089867
4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexane-1-carbonitrile
CID 65402458
1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60799051
1-[(3-bromo-5-fluorophenyl)methyl]-4-tert-butylcycloheptan-1-ol
CID 79699253

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine (CID 65089483) is 4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine is CC(C)(C)C1CCCC(N)(Cc2cccc(F)c2)CC1.
What is the InChIKey of 4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine?
The InChIKey is RYOYWGPVTJQALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-17(2,3)15-7-5-10-18(20,11-9-15)13-14-6-4-8-16(19)12-14/h4,6,8,12,15H,5,7,9-11,13,20H2,1-3H3.
What are the key properties of 4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine?
4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 65089483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).