1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol

C17H28FNO3 — CID 24713119

IUPAC1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCOCCCN(Cc1ccc(F)cc1)CC(O)COC(C)C
InChIInChI=1S/C17H28FNO3/c1-14(2)22-13-17(20)12-19(9-4-10-21-3)11-15-5-7-16(18)8-6-15/h5-8,14,17,20H,4,9-13H2,1-3H3
InChIKeyAOBHZAHGAYSIFA-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.45
Rot. Bonds11

About 1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol

1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 24713119) has the molecular formula C17H28FNO3 and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID24713119
Molecular FormulaC17H28FNO3
Molecular Weight313.41 g/mol
Exact Mass313.21
IUPAC Name1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCOCCCN(Cc1ccc(F)cc1)CC(O)COC(C)C
InChIInChI=1S/C17H28FNO3/c1-14(2)22-13-17(20)12-19(9-4-10-21-3)11-15-5-7-16(18)8-6-15/h5-8,14,17,20H,4,9-13H2,1-3H3
InChIKeyAOBHZAHGAYSIFA-UHFFFAOYSA-N
XLogP2.45
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46007666
1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46007561
1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 46006806
(2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol
CID 93147090
(2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160750
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 61035306
(2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93162626
(2R)-1-[3-methoxypropyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93163531
(2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161338
(2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161589
1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 42842124
(2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
CID 93160726

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol (CID 24713119) is 1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol is COCCCN(Cc1ccc(F)cc1)CC(O)COC(C)C.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is AOBHZAHGAYSIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO3/c1-14(2)22-13-17(20)12-19(9-4-10-21-3)11-15-5-7-16(18)8-6-15/h5-8,14,17,20H,4,9-13H2,1-3H3.
What are the key properties of 1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol?
1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 313.41 g/mol, XLogP of 2.45, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 24713119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).