4-[[(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]pentan-1-ol

C19H24FNO2 — CID 110010343

IUPAC4-[[(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]pentan-1-ol
SMILESCOc1ccc(C(NC(C)CCCO)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FNO2/c1-14(4-3-13-22)21-19(15-5-9-17(20)10-6-15)16-7-11-18(23-2)12-8-16/h5-12,14,19,21-22H,3-4,13H2,1-2H3
InChIKeyCELADONDYMDUMY-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.67
Rot. Bonds8

About 4-[[(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]pentan-1-ol

4-[[(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]pentan-1-ol (PubChem CID 110010343) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]pentan-1-ol
PubChem CID110010343
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name4-[[(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]pentan-1-ol
SMILESCOc1ccc(C(NC(C)CCCO)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FNO2/c1-14(4-3-13-22)21-19(15-5-9-17(20)10-6-15)16-7-11-18(23-2)12-8-16/h5-12,14,19,21-22H,3-4,13H2,1-2H3
InChIKeyCELADONDYMDUMY-UHFFFAOYSA-N
XLogP3.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol
CID 79691997
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 52758463
3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 83177620
N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine
CID 2846404
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837
4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
CID 113357039
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide
CID 95619538
difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]pentan-1-ol?
The IUPAC name of 4-[[(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]pentan-1-ol (CID 110010343) is 4-[[(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]pentan-1-ol.
What is the SMILES notation for 4-[[(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]pentan-1-ol?
The canonical SMILES for 4-[[(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]pentan-1-ol is COc1ccc(C(NC(C)CCCO)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]pentan-1-ol?
The InChIKey is CELADONDYMDUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-14(4-3-13-22)21-19(15-5-9-17(20)10-6-15)16-7-11-18(23-2)12-8-16/h5-12,14,19,21-22H,3-4,13H2,1-2H3.
What are the key properties of 4-[[(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]pentan-1-ol?
4-[[(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]pentan-1-ol has a molecular weight of 317.40 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]pentan-1-ol is sourced from PubChem (CID 110010343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).