N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine

C17H27NO3 — CID 103907180

IUPACN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine
SMILESCOc1ccc(CC(C)NC2CCOC(C)C2)cc1OC
InChIInChI=1S/C17H27NO3/c1-12(18-15-7-8-21-13(2)10-15)9-14-5-6-16(19-3)17(11-14)20-4/h5-6,11-13,15,18H,7-10H2,1-4H3
InChIKeyOVESBCPPJYQFPR-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.79
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine

N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine (PubChem CID 103907180) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine
PubChem CID103907180
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine
SMILESCOc1ccc(CC(C)NC2CCOC(C)C2)cc1OC
InChIInChI=1S/C17H27NO3/c1-12(18-15-7-8-21-13(2)10-15)9-14-5-6-16(19-3)17(11-14)20-4/h5-6,11-13,15,18H,7-10H2,1-4H3
InChIKeyOVESBCPPJYQFPR-UHFFFAOYSA-N
XLogP2.79
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-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-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine
CID 63359784
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine
CID 103887921
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine
CID 43373330
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 115897346
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81398024
[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol
CID 103786094
N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine
CID 82257445
2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine
CID 115898487
N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]morpholin-4-amine
CID 30983005
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81376823
(3R)-3-[[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]amino]azepan-2-one
CID 42563386
(2S)-2-amino-3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)propanamide
CID 66750690

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine (CID 103907180) is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine is COc1ccc(CC(C)NC2CCOC(C)C2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine?
The InChIKey is OVESBCPPJYQFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(18-15-7-8-21-13(2)10-15)9-14-5-6-16(19-3)17(11-14)20-4/h5-6,11-13,15,18H,7-10H2,1-4H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine?
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine has a molecular weight of 293.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine is sourced from PubChem (CID 103907180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).