(2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol

C17H26FNO2 — CID 93147090

IUPAC(2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol
SMILESC=CCC[C@@H](O)CN(CCCOC)Cc1ccc(F)cc1
InChIInChI=1S/C17H26FNO2/c1-3-4-6-17(20)14-19(11-5-12-21-2)13-15-7-9-16(18)10-8-15/h3,7-10,17,20H,1,4-6,11-14H2,2H3/t17-/m1/s1
InChIKeyFDOMAJRKRGNZCJ-QGZVFWFLSA-N
MW295.40 g/mol
LogP2.99
Rot. Bonds11

About (2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol

(2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol (PubChem CID 93147090) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is (2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol
PubChem CID93147090
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name(2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol
SMILESC=CCC[C@@H](O)CN(CCCOC)Cc1ccc(F)cc1
InChIInChI=1S/C17H26FNO2/c1-3-4-6-17(20)14-19(11-5-12-21-2)13-15-7-9-16(18)10-8-15/h3,7-10,17,20H,1,4-6,11-14H2,2H3/t17-/m1/s1
InChIKeyFDOMAJRKRGNZCJ-QGZVFWFLSA-N
XLogP2.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]hex-5-en-2-ol
CID 93146898
(2S)-1-[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol
CID 93160585
1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol
CID 46007568
1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713119
1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol
CID 24713400
1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 46006806
1-[(1-benzylpyrrol-2-yl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol
CID 42794651
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]hex-5-en-2-ol
CID 93160609
(2S)-1-[(2-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]hex-5-en-2-ol
CID 93160699
(2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160750
1-[benzyl-[(2-methoxyphenyl)methyl]amino]hex-5-en-2-ol
CID 46007693
(2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
CID 93160726

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol?
The IUPAC name of (2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol (CID 93147090) is (2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol.
What is the SMILES notation for (2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol?
The canonical SMILES for (2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol is C=CCC[C@@H](O)CN(CCCOC)Cc1ccc(F)cc1.
What is the InChIKey of (2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol?
The InChIKey is FDOMAJRKRGNZCJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-3-4-6-17(20)14-19(11-5-12-21-2)13-15-7-9-16(18)10-8-15/h3,7-10,17,20H,1,4-6,11-14H2,2H3/t17-/m1/s1.
What are the key properties of (2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol?
(2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol has a molecular weight of 295.40 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol is sourced from PubChem (CID 93147090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).