4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline

C14H24N2 — CID 60930279

IUPAC4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline
SMILESCCCN(c1ccc(CN)cc1C)C(C)C
InChIInChI=1S/C14H24N2/c1-5-8-16(11(2)3)14-7-6-13(10-15)9-12(14)4/h6-7,9,11H,5,8,10,15H2,1-4H3
InChIKeyXYWOQSYLMPXFJK-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.08
Rot. Bonds5

About 4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline

4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline (PubChem CID 60930279) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline
PubChem CID60930279
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline
SMILESCCCN(c1ccc(CN)cc1C)C(C)C
InChIInChI=1S/C14H24N2/c1-5-8-16(11(2)3)14-7-6-13(10-15)9-12(14)4/h6-7,9,11H,5,8,10,15H2,1-4H3
InChIKeyXYWOQSYLMPXFJK-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline
CID 60930401
3-methyl-4-[propan-2-yl(propyl)amino]benzenecarbothioamide
CID 54934148
4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63816026
2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
CID 62123309
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 114478711
4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline
CID 63785303
4-(bromomethyl)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 107082263
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 60929448
4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline
CID 55209345
4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline
CID 82793395
N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695102
2-chloro-4-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 81149224

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline?
The IUPAC name of 4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline (CID 60930279) is 4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline.
What is the SMILES notation for 4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline?
The canonical SMILES for 4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline is CCCN(c1ccc(CN)cc1C)C(C)C.
What is the InChIKey of 4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline?
The InChIKey is XYWOQSYLMPXFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-8-16(11(2)3)14-7-6-13(10-15)9-12(14)4/h6-7,9,11H,5,8,10,15H2,1-4H3.
What are the key properties of 4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline?
4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline has a molecular weight of 220.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline is sourced from PubChem (CID 60930279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).