N,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine

C17H30N2O — CID 114524933

IUPACN,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine
SMILESCCCNC(C)c1ccc(OCCCN(C)C)c(C)c1
InChIInChI=1S/C17H30N2O/c1-6-10-18-15(3)16-8-9-17(14(2)13-16)20-12-7-11-19(4)5/h8-9,13,15,18H,6-7,10-12H2,1-5H3
InChIKeyUZQFAOFPDKAGBI-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.39
Rot. Bonds9

About N,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine

N,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine (PubChem CID 114524933) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine
PubChem CID114524933
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine
SMILESCCCNC(C)c1ccc(OCCCN(C)C)c(C)c1
InChIInChI=1S/C17H30N2O/c1-6-10-18-15(3)16-8-9-17(14(2)13-16)20-12-7-11-19(4)5/h8-9,13,15,18H,6-7,10-12H2,1-5H3
InChIKeyUZQFAOFPDKAGBI-UHFFFAOYSA-N
XLogP3.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.39
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-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine
CID 113386847
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
CID 43279483
N-[1-[3-methyl-4-(2,2,2-trifluoroethoxymethoxy)phenyl]ethyl]propan-1-amine
CID 106704787
N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine
CID 43280026
N-ethyl-1-[4-(2-ethylsulfanylethoxy)-3-methylphenyl]ethanamine
CID 113473493
N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
CID 63685288
N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine
CID 55131505
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
N-[1-(3,4-dimethylphenyl)ethyl]octan-1-amine
CID 115566559
1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
CID 82491203
3-(4-iodo-2-methylphenoxy)-N,N-dimethylpropan-1-amine;hydrochloride
CID 6457208

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine (CID 114524933) is N,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine is CCCNC(C)c1ccc(OCCCN(C)C)c(C)c1.
What is the InChIKey of N,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine?
The InChIKey is UZQFAOFPDKAGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-10-18-15(3)16-8-9-17(14(2)13-16)20-12-7-11-19(4)5/h8-9,13,15,18H,6-7,10-12H2,1-5H3.
What are the key properties of N,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine?
N,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine is sourced from PubChem (CID 114524933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).