3-(4-butan-2-yl-N-methylanilino)propan-1-ol

C14H23NO — CID 115216712

IUPAC3-(4-butan-2-yl-N-methylanilino)propan-1-ol
SMILESCCC(C)c1ccc(N(C)CCCO)cc1
InChIInChI=1S/C14H23NO/c1-4-12(2)13-6-8-14(9-7-13)15(3)10-5-11-16/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyJNSDCBVDUWCTJC-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.02
Rot. Bonds6

About 3-(4-butan-2-yl-N-methylanilino)propan-1-ol

3-(4-butan-2-yl-N-methylanilino)propan-1-ol (PubChem CID 115216712) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(4-butan-2-yl-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(4-butan-2-yl-N-methylanilino)propan-1-ol
PubChem CID115216712
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(4-butan-2-yl-N-methylanilino)propan-1-ol
SMILESCCC(C)c1ccc(N(C)CCCO)cc1
InChIInChI=1S/C14H23NO/c1-4-12(2)13-6-8-14(9-7-13)15(3)10-5-11-16/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyJNSDCBVDUWCTJC-UHFFFAOYSA-N
XLogP3.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[butyl(methyl)amino]phenyl]ethanol
CID 43505960
[1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243332
3-(4-tert-butyl-N-methylanilino)propan-1-ol
CID 94258791
N-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138838
3-(3,4-difluoro-N-methylanilino)propan-1-ol
CID 110903439
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910
2-[(4-butan-2-yl-N-methylanilino)methyl]butanenitrile
CID 115253627
N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane
CID 143909835
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol
CID 114066804
3-[4-[(1R)-1-aminoethyl]-N-ethylanilino]propan-1-ol
CID 104861799
4-(N-methyl-4-propan-2-ylanilino)butanoic acid
CID 100518153

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-yl-N-methylanilino)propan-1-ol?
The IUPAC name of 3-(4-butan-2-yl-N-methylanilino)propan-1-ol (CID 115216712) is 3-(4-butan-2-yl-N-methylanilino)propan-1-ol.
What is the SMILES notation for 3-(4-butan-2-yl-N-methylanilino)propan-1-ol?
The canonical SMILES for 3-(4-butan-2-yl-N-methylanilino)propan-1-ol is CCC(C)c1ccc(N(C)CCCO)cc1.
What is the InChIKey of 3-(4-butan-2-yl-N-methylanilino)propan-1-ol?
The InChIKey is JNSDCBVDUWCTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-12(2)13-6-8-14(9-7-13)15(3)10-5-11-16/h6-9,12,16H,4-5,10-11H2,1-3H3.
What are the key properties of 3-(4-butan-2-yl-N-methylanilino)propan-1-ol?
3-(4-butan-2-yl-N-methylanilino)propan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-yl-N-methylanilino)propan-1-ol is sourced from PubChem (CID 115216712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).