N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine

C17H27NO3 — CID 107386400

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCC2COC(C)(C)O2)cc1
InChIInChI=1S/C17H27NO3/c1-13(18-11-16-12-20-17(2,3)21-16)5-6-14-7-9-15(19-4)10-8-14/h7-10,13,16,18H,5-6,11-12H2,1-4H3
InChIKeyAKMQZGVJPPGZKE-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.76
Rot. Bonds7

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine (PubChem CID 107386400) 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]-4-(4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine
PubChem CID107386400
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCC2COC(C)(C)O2)cc1
InChIInChI=1S/C17H27NO3/c1-13(18-11-16-12-20-17(2,3)21-16)5-6-14-7-9-15(19-4)10-8-14/h7-10,13,16,18H,5-6,11-12H2,1-4H3
InChIKeyAKMQZGVJPPGZKE-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 107386572
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide
CID 113257087
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 104787578
4-(4-methoxyphenyl)-N-(oxan-3-ylmethyl)butan-2-amine
CID 61020032
(4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11097485
4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine
CID 103903361
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 107386619
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 107386604
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxybutan-2-amine
CID 107386363
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

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine (CID 107386400) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine is COc1ccc(CCC(C)NCC2COC(C)(C)O2)cc1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine?
The InChIKey is AKMQZGVJPPGZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(18-11-16-12-20-17(2,3)21-16)5-6-14-7-9-15(19-4)10-8-14/h7-10,13,16,18H,5-6,11-12H2,1-4H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 2.76, 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]-4-(4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 107386400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).