N,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine

C18H32N2O — CID 62420375

IUPACN,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine
SMILESCCCNCc1ccc(OCCN(C)CC(C)CC)cc1
InChIInChI=1S/C18H32N2O/c1-5-11-19-14-17-7-9-18(10-8-17)21-13-12-20(4)15-16(3)6-2/h7-10,16,19H,5-6,11-15H2,1-4H3
InChIKeyJUJIPMFDLNHRON-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.54
Rot. Bonds11

About N,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine

N,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine (PubChem CID 62420375) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine
PubChem CID62420375
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine
SMILESCCCNCc1ccc(OCCN(C)CC(C)CC)cc1
InChIInChI=1S/C18H32N2O/c1-5-11-19-14-17-7-9-18(10-8-17)21-13-12-20(4)15-16(3)6-2/h7-10,16,19H,5-6,11-15H2,1-4H3
InChIKeyJUJIPMFDLNHRON-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'}

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Related Compounds

N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine
CID 62420374
N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine
CID 62420181
N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine
CID 62452923
N-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62856752
N-[(4-butoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843608
2-[4-(propylaminomethyl)phenoxy]ethanol
CID 17213252
N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64553735
4-[4-(propylaminomethyl)phenoxy]butanenitrile
CID 60878188
N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62419119
3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43276993
N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 55074388
N-methyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]thiolan-3-amine
CID 62421305

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine?
The IUPAC name of N,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine (CID 62420375) is N,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine is CCCNCc1ccc(OCCN(C)CC(C)CC)cc1.
What is the InChIKey of N,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine?
The InChIKey is JUJIPMFDLNHRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-11-19-14-17-7-9-18(10-8-17)21-13-12-20(4)15-16(3)6-2/h7-10,16,19H,5-6,11-15H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine?
N,2-dimethyl-N-[2-[4-(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-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine is sourced from PubChem (CID 62420375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).