N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine

C18H28FN — CID 81369167

IUPACN-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(N[C@H](C)c2cccc(F)c2)CC1
InChIInChI=1S/C18H28FN/c1-13(2)15-6-5-9-18(11-10-15)20-14(3)16-7-4-8-17(19)12-16/h4,7-8,12-15,18,20H,5-6,9-11H2,1-3H3/t14-,15?,18?/m1/s1
InChIKeyOYOAGENWTKYLRT-KSTDHSDQSA-N
MW277.43 g/mol
LogP5.08
Rot. Bonds4

About N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine

N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine (PubChem CID 81369167) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
PubChem CID81369167
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(N[C@H](C)c2cccc(F)c2)CC1
InChIInChI=1S/C18H28FN/c1-13(2)15-6-5-9-18(11-10-15)20-14(3)16-7-4-8-17(19)12-16/h4,7-8,12-15,18,20H,5-6,9-11H2,1-3H3/t14-,15?,18?/m1/s1
InChIKeyOYOAGENWTKYLRT-KSTDHSDQSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81368625
N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81364403
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81368804
N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81365764
N-[1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64502479
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81365167
N-[1-(2,4-difluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086758
trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol
CID 102733281
N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448653
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81365854
1-[4-[1-(3-fluorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747833

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine (CID 81369167) is N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(N[C@H](C)c2cccc(F)c2)CC1.
What is the InChIKey of N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is OYOAGENWTKYLRT-KSTDHSDQSA-N. The full InChI is InChI=1S/C18H28FN/c1-13(2)15-6-5-9-18(11-10-15)20-14(3)16-7-4-8-17(19)12-16/h4,7-8,12-15,18,20H,5-6,9-11H2,1-3H3/t14-,15?,18?/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 81369167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).