3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline

C15H26N2 — CID 143655102

IUPAC3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline
SMILESCCCN(CC)c1ccc(C)c(CN(C)C)c1
InChIInChI=1S/C15H26N2/c1-6-10-17(7-2)15-9-8-13(3)14(11-15)12-16(4)5/h8-9,11H,6-7,10,12H2,1-5H3
InChIKeyYPYBECAKTRSJKR-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.29
Rot. Bonds6

About 3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline

3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline (PubChem CID 143655102) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline
PubChem CID143655102
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline
SMILESCCCN(CC)c1ccc(C)c(CN(C)C)c1
InChIInChI=1S/C15H26N2/c1-6-10-17(7-2)15-9-8-13(3)14(11-15)12-16(4)5/h8-9,11H,6-7,10,12H2,1-5H3
InChIKeyYPYBECAKTRSJKR-UHFFFAOYSA-N
XLogP3.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-ethyl-3-methyl-N-propylaniline
CID 62129296
4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline
CID 145098744
4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline
CID 62135693
4-N-[(5-fluoro-2-methylphenyl)methyl]-4-N-propylbenzene-1,4-diamine
CID 105372026
3-methoxy-4-methyl-N,N-dipropylaniline
CID 67208536
3-ethyl-N-(3-ethyl-4-methylphenyl)-N,4-dimethylaniline
CID 170392103
4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline;(4-ethyl-2-methylphenyl)methanamine
CID 145098743
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
3-N-ethyl-3-N-propylbenzene-1,3-diamine
CID 43268426
3-bromo-N-ethyl-N-propylaniline
CID 58544975
2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol
CID 62135723
N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline
CID 63058733

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline?
The IUPAC name of 3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline (CID 143655102) is 3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline is CCCN(CC)c1ccc(C)c(CN(C)C)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline?
The InChIKey is YPYBECAKTRSJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-10-17(7-2)15-9-8-13(3)14(11-15)12-16(4)5/h8-9,11H,6-7,10,12H2,1-5H3.
What are the key properties of 3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline?
3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline has a molecular weight of 234.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline is sourced from PubChem (CID 143655102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).