1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol

C16H27NO2 — CID 10587787

IUPAC1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCCCCc1ccc(OCC(O)CNC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-4-5-6-14-7-9-16(10-8-14)19-12-15(18)11-17-13(2)3/h7-10,13,15,17-18H,4-6,11-12H2,1-3H3
InChIKeyKKGYULKZUCRNTJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.77
Rot. Bonds9

About 1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol

1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 10587787) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID10587787
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCCCCc1ccc(OCC(O)CNC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-4-5-6-14-7-9-16(10-8-14)19-12-15(18)11-17-13(2)3/h7-10,13,15,17-18H,4-6,11-12H2,1-3H3
InChIKeyKKGYULKZUCRNTJ-UHFFFAOYSA-N
XLogP2.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol
CID 71336051
1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255
1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethyl)phenoxy]propan-2-ol
CID 59432716
methanol;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 175047598
1-[4-[2-(2-ethoxyethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 22056552
methyl 3-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate
CID 25271656
propyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate;hydrochloride
CID 13040903
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol;methylboronic acid
CID 22295643
methyl 3-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate;hydrochloride
CID 71316422

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol (CID 10587787) is 1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol is CCCCc1ccc(OCC(O)CNC(C)C)cc1.
What is the InChIKey of 1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is KKGYULKZUCRNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-6-14-7-9-16(10-8-14)19-12-15(18)11-17-13(2)3/h7-10,13,15,17-18H,4-6,11-12H2,1-3H3.
What are the key properties of 1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 10587787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).