N-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine

C19H30FN — CID 104574961

IUPACN-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NCC1CCC(C(C)(C)C)CC1)c1ccccc1F
InChIInChI=1S/C19H30FN/c1-14(17-7-5-6-8-18(17)20)21-13-15-9-11-16(12-10-15)19(2,3)4/h5-8,14-16,21H,9-13H2,1-4H3
InChIKeyYEVIGZKYWSQBPC-UHFFFAOYSA-N
MW291.45 g/mol
LogP5.33
Rot. Bonds4

About N-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine

N-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 104574961) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine
PubChem CID104574961
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NCC1CCC(C(C)(C)C)CC1)c1ccccc1F
InChIInChI=1S/C19H30FN/c1-14(17-7-5-6-8-18(17)20)21-13-15-9-11-16(12-10-15)19(2,3)4/h5-8,14-16,21H,9-13H2,1-4H3
InChIKeyYEVIGZKYWSQBPC-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411471
(1R)-1-(2-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81379999
(2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95293335
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103276554
1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65400352
N-(cyclopropylmethyl)-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735006
(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81377860
N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676916
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379917
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377152
(1R)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377732

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine (CID 104574961) is N-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine is CC(NCC1CCC(C(C)(C)C)CC1)c1ccccc1F.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is YEVIGZKYWSQBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-14(17-7-5-6-8-18(17)20)21-13-15-9-11-16(12-10-15)19(2,3)4/h5-8,14-16,21H,9-13H2,1-4H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine?
N-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine has a molecular weight of 291.45 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 104574961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).