(3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine

C14H21N — CID 142994215

IUPAC(3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine
SMILESC=C(NCC)[C@H](C)Cc1ccc(C)cc1
InChIInChI=1S/C14H21N/c1-5-15-13(4)12(3)10-14-8-6-11(2)7-9-14/h6-9,12,15H,4-5,10H2,1-3H3/t12-/m1/s1
InChIKeyNTCFBLOFQJESHQ-GFCCVEGCSA-N
MW203.33 g/mol
LogP3.30
Rot. Bonds5

About (3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine

(3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine (PubChem CID 142994215) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine.

Molecular Properties

Compound Name(3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine
PubChem CID142994215
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine
SMILESC=C(NCC)[C@H](C)Cc1ccc(C)cc1
InChIInChI=1S/C14H21N/c1-5-15-13(4)12(3)10-14-8-6-11(2)7-9-14/h6-9,12,15H,4-5,10H2,1-3H3/t12-/m1/s1
InChIKeyNTCFBLOFQJESHQ-GFCCVEGCSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine 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

1-(2,3-dimethylbut-3-enyl)-4-methylbenzene;ethane;1-ethyl-4-methylbenzene;2-methylprop-1-ene
CID 177337265
(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
CID 143947459
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
formaldehyde;1-methyl-4-(2-methylbutyl)benzene
CID 143236225
ethenol;1-methyl-4-(2-methylpropyl)benzene
CID 163264631
3-methyl-1-(4-methylphenyl)but-3-en-2-amine
CID 79190743
4-methyl-3-[(4-methylphenyl)methyl]pent-1-en-2-amine
CID 167120568
(2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide
CID 172940678

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine?
The IUPAC name of (3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine (CID 142994215) is (3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine.
What is the SMILES notation for (3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine?
The canonical SMILES for (3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine is C=C(NCC)[C@H](C)Cc1ccc(C)cc1.
What is the InChIKey of (3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine?
The InChIKey is NTCFBLOFQJESHQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N/c1-5-15-13(4)12(3)10-14-8-6-11(2)7-9-14/h6-9,12,15H,4-5,10H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine?
(3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine has a molecular weight of 203.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine is sourced from PubChem (CID 142994215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).