1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine

C14H23N — CID 43483040

IUPAC1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
SMILESCCC(C)c1ccc(C(CC)NC)cc1
InChIInChI=1S/C14H23N/c1-5-11(3)12-7-9-13(10-8-12)14(6-2)15-4/h7-11,14-15H,5-6H2,1-4H3
InChIKeyZHEIFVNBLWIJQX-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.87
Rot. Bonds5

About 1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine

1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine (PubChem CID 43483040) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
PubChem CID43483040
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
SMILESCCC(C)c1ccc(C(CC)NC)cc1
InChIInChI=1S/C14H23N/c1-5-11(3)12-7-9-13(10-8-12)14(6-2)15-4/h7-11,14-15H,5-6H2,1-4H3
InChIKeyZHEIFVNBLWIJQX-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950190
1-(4-butan-2-ylphenyl)-N'-methylmethanediamine
CID 116939281
4-butan-2-yl-N-methylaniline
CID 22675641
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine
CID 43483039
N,N-diethyl-4-[1-(methylamino)propyl]aniline
CID 70917104
1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162804
3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine
CID 112507884
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63423811
1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43483023
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine (CID 43483040) is 1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine is CCC(C)c1ccc(C(CC)NC)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine?
The InChIKey is ZHEIFVNBLWIJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-11(3)12-7-9-13(10-8-12)14(6-2)15-4/h7-11,14-15H,5-6H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine?
1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 43483040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).