1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine

C16H25NO3 — CID 107386605

IUPAC1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine
SMILESCCCOc1ccc(CNCC2COC(C)(C)O2)cc1
InChIInChI=1S/C16H25NO3/c1-4-9-18-14-7-5-13(6-8-14)10-17-11-15-12-19-16(2,3)20-15/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyJLKAAXPVVYFIAC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.72
Rot. Bonds7

About 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine

1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine (PubChem CID 107386605) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine
PubChem CID107386605
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine
SMILESCCCOc1ccc(CNCC2COC(C)(C)O2)cc1
InChIInChI=1S/C16H25NO3/c1-4-9-18-14-7-5-13(6-8-14)10-17-11-15-12-19-16(2,3)20-15/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyJLKAAXPVVYFIAC-UHFFFAOYSA-N
XLogP2.72
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine with MolForge

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Related Compounds

N-[(4-butoxyphenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
CID 107386145
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine
CID 107386623
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 107386604
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
CID 107386627
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine
CID 107386248
4-[[4-[3-[4-(3-bromopropyl)phenoxy]propyl]phenoxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 67029043
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine
CID 107389682
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 107386400
2,2-dimethyl-4-[(4-methylphenoxy)methyl]-1,3-dioxolane
CID 66834871
(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
CID 57225291
2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine
CID 115563628
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine (CID 107386605) is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine is CCCOc1ccc(CNCC2COC(C)(C)O2)cc1.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine?
The InChIKey is JLKAAXPVVYFIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-9-18-14-7-5-13(6-8-14)10-17-11-15-12-19-16(2,3)20-15/h5-8,15,17H,4,9-12H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine?
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine has a molecular weight of 279.38 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine is sourced from PubChem (CID 107386605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).