3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine

C16H24FNO — CID 106930922

IUPAC3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(COCC1CC1)c1ccccc1F
InChIInChI=1S/C16H24FNO/c1-2-9-18-10-14(12-19-11-13-7-8-13)15-5-3-4-6-16(15)17/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyXHULQQHTKOKJSC-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.34
Rot. Bonds9

About 3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine

3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine (PubChem CID 106930922) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine
PubChem CID106930922
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(COCC1CC1)c1ccccc1F
InChIInChI=1S/C16H24FNO/c1-2-9-18-10-14(12-19-11-13-7-8-13)15-5-3-4-6-16(15)17/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyXHULQQHTKOKJSC-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 103984843
N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 104819492
2-(2-bromophenyl)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)propan-1-amine
CID 106930945
2-(2-fluorophenyl)-5-methoxy-N-propylpentan-1-amine
CID 79439292
2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 106930624
2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine
CID 106930604
N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 106930893
4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine
CID 79439765
3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 106930862
2-(2-cyclopropylethoxy)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 114157889
3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 104810862
3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-propylpropan-1-amine
CID 18434988

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine (CID 106930922) is 3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine is CCCNCC(COCC1CC1)c1ccccc1F.
What is the InChIKey of 3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine?
The InChIKey is XHULQQHTKOKJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-2-9-18-10-14(12-19-11-13-7-8-13)15-5-3-4-6-16(15)17/h3-6,13-14,18H,2,7-12H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine?
3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 106930922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).