N-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine

C15H26N2 — CID 62422195

IUPACN-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(Cc1ccc(CNC)cc1)C(C)C
InChIInChI=1S/C15H26N2/c1-5-10-17(13(2)3)12-15-8-6-14(7-9-15)11-16-4/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyFRJPRYCEXVDGBI-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.03
Rot. Bonds7

About N-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine

N-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine (PubChem CID 62422195) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine
PubChem CID62422195
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(Cc1ccc(CNC)cc1)C(C)C
InChIInChI=1S/C15H26N2/c1-5-10-17(13(2)3)12-15-8-6-14(7-9-15)11-16-4/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyFRJPRYCEXVDGBI-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline
CID 142231722
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462519
4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 63573274
4-[[propan-2-yl(propyl)amino]methyl]benzenecarbothioamide
CID 43269597
N-methyl-1-(4-propylphenyl)methanamine
CID 20666221
N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 43281892
N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine
CID 82952722
ethane;N-methyl-1-(4-propylphenyl)methanamine
CID 176699852
N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62420119
N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine
CID 62412689
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62421073
N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline
CID 153497957

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine (CID 62422195) is N-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine is CCCN(Cc1ccc(CNC)cc1)C(C)C.
What is the InChIKey of N-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine?
The InChIKey is FRJPRYCEXVDGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-10-17(13(2)3)12-15-8-6-14(7-9-15)11-16-4/h6-9,13,16H,5,10-12H2,1-4H3.
What are the key properties of N-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine?
N-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62422195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).