N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine

C19H30FN — CID 65091426

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(Cc1ccc(F)cc1)NC1CCCC(C(C)C)CC1
InChIInChI=1S/C19H30FN/c1-14(2)17-5-4-6-19(12-9-17)21-15(3)13-16-7-10-18(20)11-8-16/h7-8,10-11,14-15,17,19,21H,4-6,9,12-13H2,1-3H3
InChIKeyPZACKOBUKDZBRA-UHFFFAOYSA-N
MW291.45 g/mol
LogP4.95
Rot. Bonds5

About N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine

N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65091426) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine
PubChem CID65091426
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(Cc1ccc(F)cc1)NC1CCCC(C(C)C)CC1
InChIInChI=1S/C19H30FN/c1-14(2)17-5-4-6-19(12-9-17)21-15(3)13-16-7-10-18(20)11-8-16/h7-8,10-11,14-15,17,19,21H,4-6,9,12-13H2,1-3H3
InChIKeyPZACKOBUKDZBRA-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-fluorophenyl)propan-2-yl]cyclooctanamine
CID 63464519
4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741782
N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63428446
N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753673
N-[1-(4-fluorophenyl)propan-2-yl]-1-methylazepan-4-amine
CID 65074925
N-[1-(4-fluorophenyl)propan-2-yl]piperidin-3-amine
CID 62997030
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316
N-(1-phenylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448510
N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine
CID 115892356
trans-(1R,2R)-2-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentan-1-ol
CID 102733429
N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine
CID 104979804
1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine
CID 80562355

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine (CID 65091426) is N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine is CC(Cc1ccc(F)cc1)NC1CCCC(C(C)C)CC1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is PZACKOBUKDZBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-14(2)17-5-4-6-19(12-9-17)21-15(3)13-16-7-10-18(20)11-8-16/h7-8,10-11,14-15,17,19,21H,4-6,9,12-13H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine?
N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 291.45 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65091426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).