N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine

C18H28FNO — CID 62726185

IUPACN-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCOc1ccc(CC2(CNC(C)C)CCCCC2)cc1F
InChIInChI=1S/C18H28FNO/c1-14(2)20-13-18(9-5-4-6-10-18)12-15-7-8-17(21-3)16(19)11-15/h7-8,11,14,20H,4-6,9-10,12-13H2,1-3H3
InChIKeyZMPAMVOCWXGZRI-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.33
Rot. Bonds6

About N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine

N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 62726185) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
PubChem CID62726185
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCOc1ccc(CC2(CNC(C)C)CCCCC2)cc1F
InChIInChI=1S/C18H28FNO/c1-14(2)20-13-18(9-5-4-6-10-18)12-15-7-8-17(21-3)16(19)11-15/h7-8,11,14,20H,4-6,9-10,12-13H2,1-3H3
InChIKeyZMPAMVOCWXGZRI-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62724376
N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66023794
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 62594582
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62725796
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025564
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile
CID 65377847
N-[[1-[(3-bromo-4-methoxyphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 63508719
N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 82930846
N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 114858583
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 55260820
2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine
CID 65305595

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine (CID 62726185) is N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine is COc1ccc(CC2(CNC(C)C)CCCCC2)cc1F.
What is the InChIKey of N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is ZMPAMVOCWXGZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-14(2)20-13-18(9-5-4-6-10-18)12-15-7-8-17(21-3)16(19)11-15/h7-8,11,14,20H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine?
N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 293.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 62726185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).