N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine

C18H32N2 — CID 105346468

IUPACN-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine
SMILESCCN(CC)Cc1ccc(C(C)CNC(C)(C)C)cc1
InChIInChI=1S/C18H32N2/c1-7-20(8-2)14-16-9-11-17(12-10-16)15(3)13-19-18(4,5)6/h9-12,15,19H,7-8,13-14H2,1-6H3
InChIKeyIBNLFAPFRWGUFP-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.02
Rot. Bonds7

About N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine

N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine (PubChem CID 105346468) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine
PubChem CID105346468
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine
SMILESCCN(CC)Cc1ccc(C(C)CNC(C)(C)C)cc1
InChIInChI=1S/C18H32N2/c1-7-20(8-2)14-16-9-11-17(12-10-16)15(3)13-19-18(4,5)6/h9-12,15,19H,7-8,13-14H2,1-6H3
InChIKeyIBNLFAPFRWGUFP-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine
CID 105346680
N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 105350633
N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine
CID 105346832
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 105346845
2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105347782
2-[4-[[ethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
CID 105346793
N-[2-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105347393
1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62417488
N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 170239440
1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62413585
2-methyl-N-[2-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propyl]propan-2-amine
CID 105348581
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63939704

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine (CID 105346468) is N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine is CCN(CC)Cc1ccc(C(C)CNC(C)(C)C)cc1.
What is the InChIKey of N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine?
The InChIKey is IBNLFAPFRWGUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-7-20(8-2)14-16-9-11-17(12-10-16)15(3)13-19-18(4,5)6/h9-12,15,19H,7-8,13-14H2,1-6H3.
What are the key properties of N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine?
N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine has a molecular weight of 276.47 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 105346468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).