2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine

C17H26FNO — CID 62550386

IUPAC2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cccc(F)c1)CC1CCCO1
InChIInChI=1S/C17H26FNO/c1-2-8-19-13-15(12-17-7-4-9-20-17)10-14-5-3-6-16(18)11-14/h3,5-6,11,15,17,19H,2,4,7-10,12-13H2,1H3
InChIKeyUGJQNKCUOJXJSH-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.55
Rot. Bonds8

About 2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine

2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine (PubChem CID 62550386) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine
PubChem CID62550386
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cccc(F)c1)CC1CCCO1
InChIInChI=1S/C17H26FNO/c1-2-8-19-13-15(12-17-7-4-9-20-17)10-14-5-3-6-16(18)11-14/h3,5-6,11,15,17,19H,2,4,7-10,12-13H2,1H3
InChIKeyUGJQNKCUOJXJSH-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.55
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

2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
CID 62550383
2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 63020146
2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine
CID 62998676
1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164492
1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine
CID 60820403
1-ethyl-2-[(3-fluorophenyl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111136643
2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-propylpropan-1-amine
CID 63521377
2-[2-[(3-bromophenyl)methyl]-3-chloropropyl]oxolane
CID 66048360
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 55134646
2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 79437798
N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 62549112
N-[2-[(3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528134

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine (CID 62550386) is 2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine is CCCNCC(Cc1cccc(F)c1)CC1CCCO1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The InChIKey is UGJQNKCUOJXJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-2-8-19-13-15(12-17-7-4-9-20-17)10-14-5-3-6-16(18)11-14/h3,5-6,11,15,17,19H,2,4,7-10,12-13H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine?
2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 62550386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).