1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine

C16H24FNO — CID 62382003

IUPAC1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine
SMILESCC(N)C(OCC1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C16H24FNO/c1-12(18)16(14-8-5-9-15(17)10-14)19-11-13-6-3-2-4-7-13/h5,8-10,12-13,16H,2-4,6-7,11,18H2,1H3
InChIKeyHADZHQQHGPBCQJ-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.81
Rot. Bonds5

About 1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine

1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine (PubChem CID 62382003) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine
PubChem CID62382003
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine
SMILESCC(N)C(OCC1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C16H24FNO/c1-12(18)16(14-8-5-9-15(17)10-14)19-11-13-6-3-2-4-7-13/h5,8-10,12-13,16H,2-4,6-7,11,18H2,1H3
InChIKeyHADZHQQHGPBCQJ-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 55066001
1-(cyclohexylmethoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62383305
1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 62382192
1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 55066579
N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine
CID 66321628
1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine
CID 55020306
1-(3-fluorophenyl)-1-octoxypropan-2-amine
CID 63459739
1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401330
1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)propan-2-amine
CID 55019874
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 62384395
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine (CID 62382003) is 1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine is CC(N)C(OCC1CCCCC1)c1cccc(F)c1.
What is the InChIKey of 1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine?
The InChIKey is HADZHQQHGPBCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12(18)16(14-8-5-9-15(17)10-14)19-11-13-6-3-2-4-7-13/h5,8-10,12-13,16H,2-4,6-7,11,18H2,1H3.
What are the key properties of 1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine?
1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine has a molecular weight of 265.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 62382003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).