2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol

C19H25NO3 — CID 4716006

IUPAC2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1cccc(OC)c1OCc1ccccc1
InChIInChI=1S/C19H25NO3/c1-3-17(13-21)20-12-16-10-7-11-18(22-2)19(16)23-14-15-8-5-4-6-9-15/h4-11,17,20-21H,3,12-14H2,1-2H3
InChIKeyDHOBTIHPTGHNRS-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.13
Rot. Bonds9

About 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol

2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol (PubChem CID 4716006) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol
PubChem CID4716006
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1cccc(OC)c1OCc1ccccc1
InChIInChI=1S/C19H25NO3/c1-3-17(13-21)20-12-16-10-7-11-18(22-2)19(16)23-14-15-8-5-4-6-9-15/h4-11,17,20-21H,3,12-14H2,1-2H3
InChIKeyDHOBTIHPTGHNRS-UHFFFAOYSA-N
XLogP3.13
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 29186553
2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4722183
2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 17054600
(2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 40726440
(2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51988439
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
2-[2-[(1-hydroxybutan-2-ylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535747
2-[[3-methoxy-2-(2-methylpropoxy)phenyl]methylamino]butan-1-ol
CID 54849183
2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride
CID 17054714
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 19644572
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
2-[(2-butan-2-yloxy-3-methoxyphenyl)methylamino]butan-1-ol
CID 54849236

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol?
The IUPAC name of 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol (CID 4716006) is 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol is CCC(CO)NCc1cccc(OC)c1OCc1ccccc1.
What is the InChIKey of 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol?
The InChIKey is DHOBTIHPTGHNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-17(13-21)20-12-16-10-7-11-18(22-2)19(16)23-14-15-8-5-4-6-9-15/h4-11,17,20-21H,3,12-14H2,1-2H3.
What are the key properties of 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol?
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol has a molecular weight of 315.41 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 4716006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).