1-(3,5-diethylphenyl)propan-2-amine

C13H21N — CID 89151749

IUPAC1-(3,5-diethylphenyl)propan-2-amine
SMILESCCc1cc(CC)cc(CC(C)N)c1
InChIInChI=1S/C13H21N/c1-4-11-7-12(5-2)9-13(8-11)6-10(3)14/h7-10H,4-6,14H2,1-3H3
InChIKeyNWHPKNRCWKJLTH-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.70
Rot. Bonds4

About 1-(3,5-diethylphenyl)propan-2-amine

1-(3,5-diethylphenyl)propan-2-amine (PubChem CID 89151749) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(3,5-diethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,5-diethylphenyl)propan-2-amine
PubChem CID89151749
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(3,5-diethylphenyl)propan-2-amine
SMILESCCc1cc(CC)cc(CC(C)N)c1
InChIInChI=1S/C13H21N/c1-4-11-7-12(5-2)9-13(8-11)6-10(3)14/h7-10H,4-6,14H2,1-3H3
InChIKeyNWHPKNRCWKJLTH-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

lithium;hydride;1,3,5-triethylbenzene
CID 174873379
(2R)-1-(3,4-diethylphenyl)propan-2-amine
CID 139743643
(2R)-1-(3,5-diethoxyphenyl)propan-2-amine
CID 139743645
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine
CID 117307518
1-(3-ethyl-4-fluorophenyl)propan-2-amine
CID 117278913
3-ethylpentane;1,3,5-triethylbenzene
CID 159585163
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
1-ethyl-3-methoxy-5-(2-methylpropyl)benzene
CID 155459307
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diethylphenyl)propan-2-amine?
The IUPAC name of 1-(3,5-diethylphenyl)propan-2-amine (CID 89151749) is 1-(3,5-diethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3,5-diethylphenyl)propan-2-amine?
The canonical SMILES for 1-(3,5-diethylphenyl)propan-2-amine is CCc1cc(CC)cc(CC(C)N)c1.
What is the InChIKey of 1-(3,5-diethylphenyl)propan-2-amine?
The InChIKey is NWHPKNRCWKJLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-11-7-12(5-2)9-13(8-11)6-10(3)14/h7-10H,4-6,14H2,1-3H3.
What are the key properties of 1-(3,5-diethylphenyl)propan-2-amine?
1-(3,5-diethylphenyl)propan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diethylphenyl)propan-2-amine is sourced from PubChem (CID 89151749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).