4-amino-1-(N-methyl-4-propylanilino)butan-2-ol

C14H24N2O — CID 117039080

IUPAC4-amino-1-(N-methyl-4-propylanilino)butan-2-ol
SMILESCCCc1ccc(N(C)CC(O)CCN)cc1
InChIInChI=1S/C14H24N2O/c1-3-4-12-5-7-13(8-6-12)16(2)11-14(17)9-10-15/h5-8,14,17H,3-4,9-11,15H2,1-2H3
InChIKeyNYGXCFUOXTXWQY-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.78
Rot. Bonds7

About 4-amino-1-(N-methyl-4-propylanilino)butan-2-ol

4-amino-1-(N-methyl-4-propylanilino)butan-2-ol (PubChem CID 117039080) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-amino-1-(N-methyl-4-propylanilino)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(N-methyl-4-propylanilino)butan-2-ol
PubChem CID117039080
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-amino-1-(N-methyl-4-propylanilino)butan-2-ol
SMILESCCCc1ccc(N(C)CC(O)CCN)cc1
InChIInChI=1S/C14H24N2O/c1-3-4-12-5-7-13(8-6-12)16(2)11-14(17)9-10-15/h5-8,14,17H,3-4,9-11,15H2,1-2H3
InChIKeyNYGXCFUOXTXWQY-UHFFFAOYSA-N
XLogP1.78
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol
CID 117039096
4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol
CID 117039279
4-amino-1-(3,4-dimethoxy-N-methylanilino)butan-2-ol
CID 117039074
4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 63782370
1-amino-4-(4-propylphenyl)butan-2-ol
CID 83921571
methyl 2-[(N-methyl-4-propylanilino)methyl]butanoate
CID 115253064
3-methyl-2-[(N-methyl-4-propylanilino)methyl]butanoic acid
CID 115250258
1-bromo-3-(4-ethyl-N-methylanilino)propan-2-ol
CID 112561541
5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one
CID 117039136
N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline
CID 117041612
4-amino-1-[1,3-benzoxazol-6-yl(methyl)amino]butan-2-ol
CID 117039134
1-[3-[(4-amino-2-hydroxybutyl)-methylamino]phenyl]ethanone
CID 112514419

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(N-methyl-4-propylanilino)butan-2-ol?
The IUPAC name of 4-amino-1-(N-methyl-4-propylanilino)butan-2-ol (CID 117039080) is 4-amino-1-(N-methyl-4-propylanilino)butan-2-ol.
What is the SMILES notation for 4-amino-1-(N-methyl-4-propylanilino)butan-2-ol?
The canonical SMILES for 4-amino-1-(N-methyl-4-propylanilino)butan-2-ol is CCCc1ccc(N(C)CC(O)CCN)cc1.
What is the InChIKey of 4-amino-1-(N-methyl-4-propylanilino)butan-2-ol?
The InChIKey is NYGXCFUOXTXWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-4-12-5-7-13(8-6-12)16(2)11-14(17)9-10-15/h5-8,14,17H,3-4,9-11,15H2,1-2H3.
What are the key properties of 4-amino-1-(N-methyl-4-propylanilino)butan-2-ol?
4-amino-1-(N-methyl-4-propylanilino)butan-2-ol has a molecular weight of 236.36 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(N-methyl-4-propylanilino)butan-2-ol is sourced from PubChem (CID 117039080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).