4-(2-methoxyphenyl)-3-(2-phenylmethoxyethoxy)butan-2-amine

C20H27NO3 — CID 67664945

IUPAC4-(2-methoxyphenyl)-3-(2-phenylmethoxyethoxy)butan-2-amine
SMILESCOc1ccccc1CC(OCCOCc1ccccc1)C(C)N
InChIInChI=1S/C20H27NO3/c1-16(21)20(14-18-10-6-7-11-19(18)22-2)24-13-12-23-15-17-8-4-3-5-9-17/h3-11,16,20H,12-15,21H2,1-2H3
InChIKeyYOESYTAEYKNGPD-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.19
Rot. Bonds10

About 4-(2-methoxyphenyl)-3-(2-phenylmethoxyethoxy)butan-2-amine

4-(2-methoxyphenyl)-3-(2-phenylmethoxyethoxy)butan-2-amine (PubChem CID 67664945) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-3-(2-phenylmethoxyethoxy)butan-2-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-3-(2-phenylmethoxyethoxy)butan-2-amine
PubChem CID67664945
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name4-(2-methoxyphenyl)-3-(2-phenylmethoxyethoxy)butan-2-amine
SMILESCOc1ccccc1CC(OCCOCc1ccccc1)C(C)N
InChIInChI=1S/C20H27NO3/c1-16(21)20(14-18-10-6-7-11-19(18)22-2)24-13-12-23-15-17-8-4-3-5-9-17/h3-11,16,20H,12-15,21H2,1-2H3
InChIKeyYOESYTAEYKNGPD-UHFFFAOYSA-N
XLogP3.19
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.19
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-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine
CID 112752251
3-[(2-methoxyphenyl)methoxy]-1-phenylpropan-1-amine
CID 57274569
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-(2-phenylmethoxyethoxy)ethanol
CID 121292346
(1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol
CID 67671687
1-methoxy-2-(3-methylbutoxymethyl)benzene
CID 91710990
(1R)-1-(3,4-dimethoxyphenyl)-4-phenylmethoxybutan-1-amine
CID 58945877
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
3-methyl-6-phenylmethoxyhexan-2-amine
CID 130588586
2-(difluoromethoxy)ethoxymethylbenzene
CID 155234334

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-3-(2-phenylmethoxyethoxy)butan-2-amine?
The IUPAC name of 4-(2-methoxyphenyl)-3-(2-phenylmethoxyethoxy)butan-2-amine (CID 67664945) is 4-(2-methoxyphenyl)-3-(2-phenylmethoxyethoxy)butan-2-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)-3-(2-phenylmethoxyethoxy)butan-2-amine?
The canonical SMILES for 4-(2-methoxyphenyl)-3-(2-phenylmethoxyethoxy)butan-2-amine is COc1ccccc1CC(OCCOCc1ccccc1)C(C)N.
What is the InChIKey of 4-(2-methoxyphenyl)-3-(2-phenylmethoxyethoxy)butan-2-amine?
The InChIKey is YOESYTAEYKNGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-16(21)20(14-18-10-6-7-11-19(18)22-2)24-13-12-23-15-17-8-4-3-5-9-17/h3-11,16,20H,12-15,21H2,1-2H3.
What are the key properties of 4-(2-methoxyphenyl)-3-(2-phenylmethoxyethoxy)butan-2-amine?
4-(2-methoxyphenyl)-3-(2-phenylmethoxyethoxy)butan-2-amine has a molecular weight of 329.44 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-3-(2-phenylmethoxyethoxy)butan-2-amine is sourced from PubChem (CID 67664945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).