3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine

C12H19NO3 — CID 94684684

IUPAC3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine
SMILESCOc1cccc(C(CCN)(OC)OC)c1
InChIInChI=1S/C12H19NO3/c1-14-11-6-4-5-10(9-11)12(15-2,16-3)7-8-13/h4-6,9H,7-8,13H2,1-3H3
InChIKeyQEJPKKVNCFIRHQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.49
Rot. Bonds6

About 3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine

3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine (PubChem CID 94684684) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine
PubChem CID94684684
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine
SMILESCOc1cccc(C(CCN)(OC)OC)c1
InChIInChI=1S/C12H19NO3/c1-14-11-6-4-5-10(9-11)12(15-2,16-3)7-8-13/h4-6,9H,7-8,13H2,1-3H3
InChIKeyQEJPKKVNCFIRHQ-UHFFFAOYSA-N
XLogP1.49
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethoxy-3-(4-methoxyphenyl)propan-1-amine
CID 94684681
3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115135089
(3R,4R)-1-amino-3-(3-methoxyphenyl)-4,5-dimethylhexan-3-ol
CID 69117113
(3S,4S)-1-amino-3-(3-methoxyphenyl)-4,5-dimethylhexan-3-ol
CID 68538917
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid
CID 117049749
N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201631
2-(3-methoxyphenyl)hexan-2-amine
CID 62620704
(2S,4R)-4-(aminomethyl)-4-(3-methoxyphenyl)heptan-2-ol
CID 125468139
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine?
The IUPAC name of 3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine (CID 94684684) is 3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine is COc1cccc(C(CCN)(OC)OC)c1.
What is the InChIKey of 3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine?
The InChIKey is QEJPKKVNCFIRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-14-11-6-4-5-10(9-11)12(15-2,16-3)7-8-13/h4-6,9H,7-8,13H2,1-3H3.
What are the key properties of 3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine?
3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine has a molecular weight of 225.29 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 94684684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).