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

C14H23N — CID 4962685

IUPAC1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
SMILESCCC(C)c1ccc(C(N)C(C)C)cc1
InChIInChI=1S/C14H23N/c1-5-11(4)12-6-8-13(9-7-12)14(15)10(2)3/h6-11,14H,5,15H2,1-4H3
InChIKeyDAKTWDHRBOZHKJ-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.86
Rot. Bonds4

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

1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine (PubChem CID 4962685) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
PubChem CID4962685
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
SMILESCCC(C)c1ccc(C(N)C(C)C)cc1
InChIInChI=1S/C14H23N/c1-5-11(4)12-6-8-13(9-7-12)14(15)10(2)3/h6-11,14H,5,15H2,1-4H3
InChIKeyDAKTWDHRBOZHKJ-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine
CID 82984910
2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile
CID 116946153
1-(4-butan-2-ylphenyl)-N'-methylmethanediamine
CID 116939281
1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine
CID 43097162
4-(1-amino-2-methylpropyl)aniline
CID 55283645
2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine
CID 159334217
(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine
CID 43096152
1-(4-butan-2-ylphenyl)pentane-1,4-diamine
CID 116934302
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
1-butan-2-yl-4-fluorobenzene
CID 11829648

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine (CID 4962685) is 1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine is CCC(C)c1ccc(C(N)C(C)C)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine?
The InChIKey is DAKTWDHRBOZHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-11(4)12-6-8-13(9-7-12)14(15)10(2)3/h6-11,14H,5,15H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine?
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.86, 4 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)-2-methylpropan-1-amine is sourced from PubChem (CID 4962685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).