3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine

C15H25N — CID 3024726

IUPAC3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCc1c(C)cccc1C
InChIInChI=1S/C15H25N/c1-5-16(6-2)12-8-11-15-13(3)9-7-10-14(15)4/h7,9-10H,5-6,8,11-12H2,1-4H3
InChIKeyPLCHGXPNQCZOTJ-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.58
Rot. Bonds6

About 3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine

3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine (PubChem CID 3024726) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine
PubChem CID3024726
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCc1c(C)cccc1C
InChIInChI=1S/C15H25N/c1-5-16(6-2)12-8-11-15-13(3)9-7-10-14(15)4/h7,9-10H,5-6,8,11-12H2,1-4H3
InChIKeyPLCHGXPNQCZOTJ-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-(2,6-dimethylphenyl)pentyl]-1,3-dimethylbenzene
CID 22921267
N,N-diethyl-6-(2-methylphenyl)hexan-1-amine;hydrate
CID 173448140
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methylphenol
CID 102999108
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694
1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one
CID 159738845
N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine
CID 2058755
3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine
CID 137482894
2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide
CID 3052735
4-[3-(diethylamino)propyl]aniline
CID 10608385
2-butyl-3-methylphenol
CID 174788119
1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one
CID 158292026

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine?
The IUPAC name of 3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine (CID 3024726) is 3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine is CCN(CC)CCCc1c(C)cccc1C.
What is the InChIKey of 3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine?
The InChIKey is PLCHGXPNQCZOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-16(6-2)12-8-11-15-13(3)9-7-10-14(15)4/h7,9-10H,5-6,8,11-12H2,1-4H3.
What are the key properties of 3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine?
3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine is sourced from PubChem (CID 3024726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).