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

C16H28N2 — CID 105346680

IUPACN-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine
SMILESCC(CNC(C)(C)C)c1ccc(CN(C)C)cc1
InChIInChI=1S/C16H28N2/c1-13(11-17-16(2,3)4)15-9-7-14(8-10-15)12-18(5)6/h7-10,13,17H,11-12H2,1-6H3
InChIKeyKOANLZHIXIJUAD-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.24
Rot. Bonds5

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

N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine (PubChem CID 105346680) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine
PubChem CID105346680
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine
SMILESCC(CNC(C)(C)C)c1ccc(CN(C)C)cc1
InChIInChI=1S/C16H28N2/c1-13(11-17-16(2,3)4)15-9-7-14(8-10-15)12-18(5)6/h7-10,13,17H,11-12H2,1-6H3
InChIKeyKOANLZHIXIJUAD-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 105346468
N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 105350633
1-[4-[5-[4-(chloromethyl)phenyl]hexan-2-yl]phenyl]-N,N-dimethylmethanamine
CID 59871720
1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62417488
1-[4-[(dimethylamino)methyl]phenyl]ethanamine
CID 55283672
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
1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine
CID 83962526
2-[4-[[ethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
CID 105346793
N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine
CID 83382566
N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63496736
(4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine
CID 82106116

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine (CID 105346680) is N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine is CC(CNC(C)(C)C)c1ccc(CN(C)C)cc1.
What is the InChIKey of N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine?
The InChIKey is KOANLZHIXIJUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13(11-17-16(2,3)4)15-9-7-14(8-10-15)12-18(5)6/h7-10,13,17H,11-12H2,1-6H3.
What are the key properties of N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine?
N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine has a molecular weight of 248.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 105346680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).