N,2-dimethyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]butan-2-amine

C18H32N2 — CID 105347795

IUPACN,2-dimethyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]butan-2-amine
SMILESCCCNCCc1ccc(CN(C)C(C)(C)CC)cc1
InChIInChI=1S/C18H32N2/c1-6-13-19-14-12-16-8-10-17(11-9-16)15-20(5)18(3,4)7-2/h8-11,19H,6-7,12-15H2,1-5H3
InChIKeyLMQXOXAKLUNFAM-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.85
Rot. Bonds9

About N,2-dimethyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]butan-2-amine

N,2-dimethyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]butan-2-amine (PubChem CID 105347795) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N,2-dimethyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]butan-2-amine
PubChem CID105347795
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN,2-dimethyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]butan-2-amine
SMILESCCCNCCc1ccc(CN(C)C(C)(C)CC)cc1
InChIInChI=1S/C18H32N2/c1-6-13-19-14-12-16-8-10-17(11-9-16)15-20(5)18(3,4)7-2/h8-11,19H,6-7,12-15H2,1-5H3
InChIKeyLMQXOXAKLUNFAM-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.85
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-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 105347790
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755
2-[4-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]acetohydrazide
CID 105351975
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 105347558
N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine
CID 105347771
3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine
CID 105347627
N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 63967204
N,2-dimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine
CID 63964105
N-[2-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 64866405
N-(2-methylbutan-2-yl)-4-[2-(propylamino)ethyl]benzenesulfonamide
CID 106031498
N-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105347856

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]butan-2-amine?
The IUPAC name of N,2-dimethyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]butan-2-amine (CID 105347795) is N,2-dimethyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]butan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]butan-2-amine?
The canonical SMILES for N,2-dimethyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]butan-2-amine is CCCNCCc1ccc(CN(C)C(C)(C)CC)cc1.
What is the InChIKey of N,2-dimethyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]butan-2-amine?
The InChIKey is LMQXOXAKLUNFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-13-19-14-12-16-8-10-17(11-9-16)15-20(5)18(3,4)7-2/h8-11,19H,6-7,12-15H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]butan-2-amine?
N,2-dimethyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]butan-2-amine has a molecular weight of 276.47 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]butan-2-amine is sourced from PubChem (CID 105347795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).