1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol

C14H24N2O — CID 60900023

IUPAC1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol
SMILESCC(C)c1cccc(NCC(O)CN(C)C)c1
InChIInChI=1S/C14H24N2O/c1-11(2)12-6-5-7-13(8-12)15-9-14(17)10-16(3)4/h5-8,11,14-15,17H,9-10H2,1-4H3
InChIKeyHFDYWZLKLLKVPN-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.14
Rot. Bonds6

About 1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol

1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol (PubChem CID 60900023) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol
PubChem CID60900023
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol
SMILESCC(C)c1cccc(NCC(O)CN(C)C)c1
InChIInChI=1S/C14H24N2O/c1-11(2)12-6-5-7-13(8-12)15-9-14(17)10-16(3)4/h5-8,11,14-15,17H,9-10H2,1-4H3
InChIKeyHFDYWZLKLLKVPN-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-(3-propan-2-ylanilino)propan-2-ol
CID 168640793
1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol
CID 60902054
1-(4-methylpentoxy)-3-(3-propan-2-ylanilino)propan-2-ol
CID 60901755
N,N-dimethyl-2-(3-propan-2-ylanilino)acetamide
CID 28837936
1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol
CID 107619934
2-(3-propan-2-ylanilino)-1-thiophen-2-ylethanol
CID 60899443
2-(3-propan-2-ylanilino)ethanol
CID 28973580
1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol
CID 60897390
methyl 2-(3-propan-2-ylanilino)acetate
CID 20824069
4-[1-hydroxy-2-(3-propan-2-ylanilino)ethyl]benzonitrile
CID 60900218
1-[3-(2-aminopropylamino)phenyl]ethanol
CID 83962997
N-(methylsulfanylmethyl)-3-propan-2-ylaniline
CID 139386106

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol (CID 60900023) is 1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol is CC(C)c1cccc(NCC(O)CN(C)C)c1.
What is the InChIKey of 1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol?
The InChIKey is HFDYWZLKLLKVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)12-6-5-7-13(8-12)15-9-14(17)10-16(3)4/h5-8,11,14-15,17H,9-10H2,1-4H3.
What are the key properties of 1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol?
1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol has a molecular weight of 236.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol is sourced from PubChem (CID 60900023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).