N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride

C19H25ClFNO2 — CID 17291397

IUPACN-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
SMILESCCC(C)NCc1cccc(OC)c1OCc1ccc(F)cc1.Cl
InChIInChI=1S/C19H24FNO2.ClH/c1-4-14(2)21-12-16-6-5-7-18(22-3)19(16)23-13-15-8-10-17(20)11-9-15;/h5-11,14,21H,4,12-13H2,1-3H3;1H
InChIKeyDUZATCTUKNOXKL-UHFFFAOYSA-N
MW353.87 g/mol
LogP4.72
Rot. Bonds8

About N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride

N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride (PubChem CID 17291397) has the molecular formula C19H25ClFNO2 and a molecular weight of 353.87 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
PubChem CID17291397
Molecular FormulaC19H25ClFNO2
Molecular Weight353.87 g/mol
Exact Mass353.16
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
SMILESCCC(C)NCc1cccc(OC)c1OCc1ccc(F)cc1.Cl
InChIInChI=1S/C19H24FNO2.ClH/c1-4-14(2)21-12-16-6-5-7-18(22-3)19(16)23-13-15-8-10-17(20)11-9-15;/h5-11,14,21H,4,12-13H2,1-3H3;1H
InChIKeyDUZATCTUKNOXKL-UHFFFAOYSA-N
XLogP4.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4722183
(2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51988522
(2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine
CID 51988595
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]butan-2-amine
CID 4717056
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721448
1-(4-fluorophenyl)-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]methanamine;hydrochloride
CID 17292639
N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine
CID 54849405
(2R)-2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 29186553
2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 17054600
3-butoxy-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine;hydrochloride
CID 17207628
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 3162182
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine;hydrochloride
CID 17291422

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride (CID 17291397) is N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride is CCC(C)NCc1cccc(OC)c1OCc1ccc(F)cc1.Cl.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride?
The InChIKey is DUZATCTUKNOXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2.ClH/c1-4-14(2)21-12-16-6-5-7-18(22-3)19(16)23-13-15-8-10-17(20)11-9-15;/h5-11,14,21H,4,12-13H2,1-3H3;1H.
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride?
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride has a molecular weight of 353.87 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 17291397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).