1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-amine

C19H25ClN2O2 — CID 138523933

IUPAC1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-amine
SMILESCOc1cc(CC(N)C(C)(C)COCc2ccccc2)cnc1Cl
InChIInChI=1S/C19H25ClN2O2/c1-19(2,13-24-12-14-7-5-4-6-8-14)17(21)10-15-9-16(23-3)18(20)22-11-15/h4-9,11,17H,10,12-13,21H2,1-3H3
InChIKeyXEVXYNZWIKBONP-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.86
Rot. Bonds8

About 1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-amine

1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-amine (PubChem CID 138523933) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-amine.

Molecular Properties

Compound Name1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-amine
PubChem CID138523933
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-amine
SMILESCOc1cc(CC(N)C(C)(C)COCc2ccccc2)cnc1Cl
InChIInChI=1S/C19H25ClN2O2/c1-19(2,13-24-12-14-7-5-4-6-8-14)17(21)10-15-9-16(23-3)18(20)22-11-15/h4-9,11,17H,10,12-13,21H2,1-3H3
InChIKeyXEVXYNZWIKBONP-UHFFFAOYSA-N
XLogP3.86
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-amine with MolForge

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Related Compounds

1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-one
CID 138523988
(2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine
CID 125466336
1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine
CID 12926482
1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine
CID 104667048
3,3-dimethyl-4-phenylmethoxybutan-1-amine
CID 122238724
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene
CID 166487361
benzyl-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]azanium
CID 7581676
(3S)-3-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-5-phenylmethoxypentanal
CID 53362814
3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrazine-2,6-diamine
CID 153297998
(2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol
CID 69361411

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-amine?
The IUPAC name of 1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-amine (CID 138523933) is 1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-amine.
What is the SMILES notation for 1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-amine?
The canonical SMILES for 1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-amine is COc1cc(CC(N)C(C)(C)COCc2ccccc2)cnc1Cl.
What is the InChIKey of 1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-amine?
The InChIKey is XEVXYNZWIKBONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-19(2,13-24-12-14-7-5-4-6-8-14)17(21)10-15-9-16(23-3)18(20)22-11-15/h4-9,11,17H,10,12-13,21H2,1-3H3.
What are the key properties of 1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-amine?
1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-amine has a molecular weight of 348.87 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-amine is sourced from PubChem (CID 138523933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).