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

C17H27NO3 — CID 107386604

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(C)NCC2COC(C)(C)O2)cc1
InChIInChI=1S/C17H27NO3/c1-5-10-19-15-8-6-14(7-9-15)13(2)18-11-16-12-20-17(3,4)21-16/h6-9,13,16,18H,5,10-12H2,1-4H3
InChIKeyOXMTUWOXXDZCAN-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.28
Rot. Bonds7

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-propoxyphenyl)ethanamine (PubChem CID 107386604) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-propoxyphenyl)ethanamine
PubChem CID107386604
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(C)NCC2COC(C)(C)O2)cc1
InChIInChI=1S/C17H27NO3/c1-5-10-19-15-8-6-14(7-9-15)13(2)18-11-16-12-20-17(3,4)21-16/h6-9,13,16,18H,5,10-12H2,1-4H3
InChIKeyOXMTUWOXXDZCAN-UHFFFAOYSA-N
XLogP3.28
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-propoxyphenyl)methyl]methanamine
CID 107386605
N-[(4-butoxyphenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
CID 107386145
N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 62048598
1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol
CID 54150014
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 104787578
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 107386677
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 107386127
3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785946
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107386044
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine
CID 79861209
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 107386400
(1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 104889511

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-propoxyphenyl)ethanamine (CID 107386604) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(C)NCC2COC(C)(C)O2)cc1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-propoxyphenyl)ethanamine?
The InChIKey is OXMTUWOXXDZCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-10-19-15-8-6-14(7-9-15)13(2)18-11-16-12-20-17(3,4)21-16/h6-9,13,16,18H,5,10-12H2,1-4H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-propoxyphenyl)ethanamine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-propoxyphenyl)ethanamine has a molecular weight of 293.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 107386604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).