N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine

C18H32N2 — CID 115463667

IUPACN,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine
SMILESCCCNCCc1ccccc1CN(C)CC(C)CC
InChIInChI=1S/C18H32N2/c1-5-12-19-13-11-17-9-7-8-10-18(17)15-20(4)14-16(3)6-2/h7-10,16,19H,5-6,11-15H2,1-4H3
InChIKeyMWWAPWBWSCPPPM-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.71
Rot. Bonds10

About N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine

N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine (PubChem CID 115463667) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine
PubChem CID115463667
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine
SMILESCCCNCCc1ccccc1CN(C)CC(C)CC
InChIInChI=1S/C18H32N2/c1-5-12-19-13-11-17-9-7-8-10-18(17)15-20(4)14-16(3)6-2/h7-10,16,19H,5-6,11-15H2,1-4H3
InChIKeyMWWAPWBWSCPPPM-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 115463664
N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine
CID 115463724
[2-[[methyl(2-methylbutyl)amino]methyl]phenyl]boronic acid
CID 54971152
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-1-amine
CID 115463958
2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463583
N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 62424928
N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463617
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107113089
N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine
CID 113314833
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
CID 115463670
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-2-amine
CID 115463757
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 115463727

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine?
The IUPAC name of N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine (CID 115463667) is N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine is CCCNCCc1ccccc1CN(C)CC(C)CC.
What is the InChIKey of N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine?
The InChIKey is MWWAPWBWSCPPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-12-19-13-11-17-9-7-8-10-18(17)15-20(4)14-16(3)6-2/h7-10,16,19H,5-6,11-15H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine?
N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine has a molecular weight of 276.47 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine is sourced from PubChem (CID 115463667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).