2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine

C18H28FN — CID 81364809

IUPAC2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
SMILESC[C@H](NC1CCCCC1C(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C18H28FN/c1-13(14-8-7-9-15(19)12-14)20-17-11-6-5-10-16(17)18(2,3)4/h7-9,12-13,16-17,20H,5-6,10-11H2,1-4H3/t13-,16?,17?/m0/s1
InChIKeyDOVZXIXOJOPMEZ-IGEOTXOUSA-N
MW277.43 g/mol
LogP5.08
Rot. Bonds3

About 2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine

2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine (PubChem CID 81364809) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
PubChem CID81364809
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
SMILESC[C@H](NC1CCCCC1C(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C18H28FN/c1-13(14-8-7-9-15(19)12-14)20-17-11-6-5-10-16(17)18(2,3)4/h7-9,12-13,16-17,20H,5-6,10-11H2,1-4H3/t13-,16?,17?/m0/s1
InChIKeyDOVZXIXOJOPMEZ-IGEOTXOUSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81369390
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43078909
N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 43673221
trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol
CID 102733281
2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364942
2-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopentan-1-amine
CID 81364867
2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine
CID 43673897
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81365854
N-[1-(3-fluorophenyl)ethyl]-2-methoxycyclopentan-1-amine
CID 55033361
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81365434
N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335511

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine (CID 81364809) is 2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine is C[C@H](NC1CCCCC1C(C)(C)C)c1cccc(F)c1.
What is the InChIKey of 2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine?
The InChIKey is DOVZXIXOJOPMEZ-IGEOTXOUSA-N. The full InChI is InChI=1S/C18H28FN/c1-13(14-8-7-9-15(19)12-14)20-17-11-6-5-10-16(17)18(2,3)4/h7-9,12-13,16-17,20H,5-6,10-11H2,1-4H3/t13-,16?,17?/m0/s1.
What are the key properties of 2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine?
2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 81364809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).