3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline

C19H24N2 — CID 105185231

IUPAC3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(N)c2ccc(C3CCC3)cc2)c1
InChIInChI=1S/C19H24N2/c1-21(2)18-8-4-7-17(13-18)19(20)16-11-9-15(10-12-16)14-5-3-6-14/h4,7-14,19H,3,5-6,20H2,1-2H3
InChIKeyULZABXBWKRGPCR-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.07
Rot. Bonds4

About 3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline

3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline (PubChem CID 105185231) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline
PubChem CID105185231
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(N)c2ccc(C3CCC3)cc2)c1
InChIInChI=1S/C19H24N2/c1-21(2)18-8-4-7-17(13-18)19(20)16-11-9-15(10-12-16)14-5-3-6-14/h4,7-14,19H,3,5-6,20H2,1-2H3
InChIKeyULZABXBWKRGPCR-UHFFFAOYSA-N
XLogP4.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 114602513
(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine
CID 105044946
4-cyclobutyl-N,N-dimethylaniline
CID 170179749
(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
CID 116505887
3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline
CID 105141994
(4-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 116505877
3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline
CID 105142950
3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline
CID 105146180
(4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
CID 107995408
(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053825
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105044855
(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053710

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline (CID 105185231) is 3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline is CN(C)c1cccc(C(N)c2ccc(C3CCC3)cc2)c1.
What is the InChIKey of 3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline?
The InChIKey is ULZABXBWKRGPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-21(2)18-8-4-7-17(13-18)19(20)16-11-9-15(10-12-16)14-5-3-6-14/h4,7-14,19H,3,5-6,20H2,1-2H3.
What are the key properties of 3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline?
3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline has a molecular weight of 280.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105185231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).