N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine

C18H32N2O — CID 62420181

IUPACN,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine
SMILESCCCNCc1cccc(OCCN(C)CC(C)CC)c1
InChIInChI=1S/C18H32N2O/c1-5-10-19-14-17-8-7-9-18(13-17)21-12-11-20(4)15-16(3)6-2/h7-9,13,16,19H,5-6,10-12,14-15H2,1-4H3
InChIKeyVCROZEHZRPZETF-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.54
Rot. Bonds11

About N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine

N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine (PubChem CID 62420181) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine
PubChem CID62420181
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine
SMILESCCCNCc1cccc(OCCN(C)CC(C)CC)c1
InChIInChI=1S/C18H32N2O/c1-5-10-19-14-17-8-7-9-18(13-17)21-12-11-20(4)15-16(3)6-2/h7-9,13,16,19H,5-6,10-12,14-15H2,1-4H3
InChIKeyVCROZEHZRPZETF-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-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-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62419119
N,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine
CID 62420375
N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 55074388
N-methyl-1-methylsulfanyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 115987888
N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62458587
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine
CID 62420374
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 62416994
methyl 3-[3-(propylaminomethyl)phenoxy]propanoate
CID 63949501
5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62227082
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 55074867
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine?
The IUPAC name of N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine (CID 62420181) is N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine is CCCNCc1cccc(OCCN(C)CC(C)CC)c1.
What is the InChIKey of N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine?
The InChIKey is VCROZEHZRPZETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-10-19-14-17-8-7-9-18(13-17)21-12-11-20(4)15-16(3)6-2/h7-9,13,16,19H,5-6,10-12,14-15H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine?
N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.54, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine is sourced from PubChem (CID 62420181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).