4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline

C15H26N2 — CID 40649734

IUPAC4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline
SMILESCC[C@@H](C)NCc1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H26N2/c1-5-13(4)16-12-14-8-10-15(11-9-14)17(6-2)7-3/h8-11,13,16H,5-7,12H2,1-4H3/t13-/m1/s1
InChIKeyCULMSAFPCZWOAC-CYBMUJFWSA-N
MW234.39 g/mol
LogP3.42
Rot. Bonds7

About 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline

4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline (PubChem CID 40649734) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline
PubChem CID40649734
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline
SMILESCC[C@@H](C)NCc1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H26N2/c1-5-13(4)16-12-14-8-10-15(11-9-14)17(6-2)7-3/h8-11,13,16H,5-7,12H2,1-4H3/t13-/m1/s1
InChIKeyCULMSAFPCZWOAC-CYBMUJFWSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethyl-p-toluidine
CID 7471
1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
N-Ethylaniline
CID 7670
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Bamipine
CID 72075
N,N-Diethyl-p-phenylenediamine
CID 7120
N-Isopropylaniline
CID 13032
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364
N-Butylaniline
CID 14310
N-Ethyl-N-benzylaniline
CID 7098

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline?
The IUPAC name of 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline (CID 40649734) is 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline?
The canonical SMILES for 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline is CC[C@@H](C)NCc1ccc(N(CC)CC)cc1.
What is the InChIKey of 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline?
The InChIKey is CULMSAFPCZWOAC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-13(4)16-12-14-8-10-15(11-9-14)17(6-2)7-3/h8-11,13,16H,5-7,12H2,1-4H3/t13-/m1/s1.
What are the key properties of 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline?
4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline has a molecular weight of 234.39 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline is sourced from PubChem (CID 40649734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).