N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine

C15H25N — CID 170239440

IUPACN-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C15H25N/c1-5-16(6-2)12-15-9-7-14(8-10-15)11-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyCIMWZOYSTWKYHD-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.73
Rot. Bonds6

About N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine

N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine (PubChem CID 170239440) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
PubChem CID170239440
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C15H25N/c1-5-16(6-2)12-15-9-7-14(8-10-15)11-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyCIMWZOYSTWKYHD-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 115262015
[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol
CID 112631179
2-[[4-(diethylaminomethyl)phenyl]methyl]pentanoic acid
CID 84752883
ethane;4-(2-methylpropyl)benzenethiol
CID 143751683
1-ethyl-4-(2-methylpropyl)benzene;methane;propane
CID 154659572
ethane;2-methylpropylbenzene
CID 162200929
N-benzyl-N-ethylethanamine;ethene
CID 174895763
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]ethanol
CID 110921350
N-ethyl-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine;propane
CID 142241556
N',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine
CID 63466904

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine (CID 170239440) is N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine is CCN(CC)Cc1ccc(CC(C)C)cc1.
What is the InChIKey of N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
The InChIKey is CIMWZOYSTWKYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-16(6-2)12-15-9-7-14(8-10-15)11-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine has a molecular weight of 219.37 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 170239440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).