[4-(1,3-dimethoxypropyl)phenyl]methanamine

C12H19NO2 — CID 172700562

IUPAC[4-(1,3-dimethoxypropyl)phenyl]methanamine
SMILESCOCCC(OC)c1ccc(CN)cc1
InChIInChI=1S/C12H19NO2/c1-14-8-7-12(15-2)11-5-3-10(9-13)4-6-11/h3-6,12H,7-9,13H2,1-2H3
InChIKeyCXFBBZACWNSGOK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.87
Rot. Bonds6

About [4-(1,3-dimethoxypropyl)phenyl]methanamine

[4-(1,3-dimethoxypropyl)phenyl]methanamine (PubChem CID 172700562) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is [4-(1,3-dimethoxypropyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1,3-dimethoxypropyl)phenyl]methanamine
PubChem CID172700562
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name[4-(1,3-dimethoxypropyl)phenyl]methanamine
SMILESCOCCC(OC)c1ccc(CN)cc1
InChIInChI=1S/C12H19NO2/c1-14-8-7-12(15-2)11-5-3-10(9-13)4-6-11/h3-6,12H,7-9,13H2,1-2H3
InChIKeyCXFBBZACWNSGOK-UHFFFAOYSA-N
XLogP1.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)phenyl]-2-methoxyethanol
CID 43531479
[4-(1-methoxy-2-methylpropyl)phenyl]methanamine
CID 102547360
[3-butyl-5-(1-methoxybutyl)phenyl]methanamine
CID 146566049
[4-[4-(2-methoxyethyl)phenyl]phenyl]methanamine
CID 61034030
(1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol
CID 124500392
4-[(1R)-1-methoxybutyl]aniline
CID 124500573
3-methoxypropan-1-ol;[4-(3-methoxypropylsulfanyl)phenyl]methanamine
CID 143392646
4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline
CID 54935598
[4-(methoxymethyl)phenyl]methanamine;dihydrochloride
CID 133054354
1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol
CID 117322250
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 39149176
1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one
CID 117318122

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dimethoxypropyl)phenyl]methanamine?
The IUPAC name of [4-(1,3-dimethoxypropyl)phenyl]methanamine (CID 172700562) is [4-(1,3-dimethoxypropyl)phenyl]methanamine.
What is the SMILES notation for [4-(1,3-dimethoxypropyl)phenyl]methanamine?
The canonical SMILES for [4-(1,3-dimethoxypropyl)phenyl]methanamine is COCCC(OC)c1ccc(CN)cc1.
What is the InChIKey of [4-(1,3-dimethoxypropyl)phenyl]methanamine?
The InChIKey is CXFBBZACWNSGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-14-8-7-12(15-2)11-5-3-10(9-13)4-6-11/h3-6,12H,7-9,13H2,1-2H3.
What are the key properties of [4-(1,3-dimethoxypropyl)phenyl]methanamine?
[4-(1,3-dimethoxypropyl)phenyl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dimethoxypropyl)phenyl]methanamine is sourced from PubChem (CID 172700562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).