4-[4-(dimethylamino)anilino]pentan-1-ol

C13H22N2O — CID 115976111

IUPAC4-[4-(dimethylamino)anilino]pentan-1-ol
SMILESCC(CCCO)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C13H22N2O/c1-11(5-4-10-16)14-12-6-8-13(9-7-12)15(2)3/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyNCOOOAVOAXURFC-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.33
Rot. Bonds6

About 4-[4-(dimethylamino)anilino]pentan-1-ol

4-[4-(dimethylamino)anilino]pentan-1-ol (PubChem CID 115976111) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-[4-(dimethylamino)anilino]pentan-1-ol.

Molecular Properties

Compound Name4-[4-(dimethylamino)anilino]pentan-1-ol
PubChem CID115976111
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-[4-(dimethylamino)anilino]pentan-1-ol
SMILESCC(CCCO)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C13H22N2O/c1-11(5-4-10-16)14-12-6-8-13(9-7-12)15(2)3/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyNCOOOAVOAXURFC-UHFFFAOYSA-N
XLogP2.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine
CID 43616946
(4S)-4-(4-methylanilino)pentan-1-ol
CID 94830686
1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 21430110
2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol
CID 54866191
1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 62534120
4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine
CID 83155630
2-[4-[1-[4-(dimethylamino)phenyl]ethylamino]phenyl]ethanol
CID 61238255
4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine
CID 43680104
(4R)-4-(3-methylanilino)pentan-1-ol
CID 94830689
2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide
CID 43617104
4-(4-ethyl-3-fluoroanilino)pentan-1-ol
CID 115976008
4-(3-chloroanilino)pentan-1-ol
CID 115975852

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)anilino]pentan-1-ol?
The IUPAC name of 4-[4-(dimethylamino)anilino]pentan-1-ol (CID 115976111) is 4-[4-(dimethylamino)anilino]pentan-1-ol.
What is the SMILES notation for 4-[4-(dimethylamino)anilino]pentan-1-ol?
The canonical SMILES for 4-[4-(dimethylamino)anilino]pentan-1-ol is CC(CCCO)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 4-[4-(dimethylamino)anilino]pentan-1-ol?
The InChIKey is NCOOOAVOAXURFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(5-4-10-16)14-12-6-8-13(9-7-12)15(2)3/h6-9,11,14,16H,4-5,10H2,1-3H3.
What are the key properties of 4-[4-(dimethylamino)anilino]pentan-1-ol?
4-[4-(dimethylamino)anilino]pentan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)anilino]pentan-1-ol is sourced from PubChem (CID 115976111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).