5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol

C20H35NO2 — CID 83935661

IUPAC5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol
SMILESCCCOc1ccc(C(C)(C)C)cc1C(C)CC(O)C(N)CC
InChIInChI=1S/C20H35NO2/c1-7-11-23-19-10-9-15(20(4,5)6)13-16(19)14(3)12-18(22)17(21)8-2/h9-10,13-14,17-18,22H,7-8,11-12,21H2,1-6H3
InChIKeyDGIBETALUUKGKF-UHFFFAOYSA-N
MW321.51 g/mol
LogP4.36
Rot. Bonds8

About 5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol

5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol (PubChem CID 83935661) has the molecular formula C20H35NO2 and a molecular weight of 321.51 g/mol. Its IUPAC name is 5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol.

Molecular Properties

Compound Name5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol
PubChem CID83935661
Molecular FormulaC20H35NO2
Molecular Weight321.51 g/mol
Exact Mass321.27
IUPAC Name5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol
SMILESCCCOc1ccc(C(C)(C)C)cc1C(C)CC(O)C(N)CC
InChIInChI=1S/C20H35NO2/c1-7-11-23-19-10-9-15(20(4,5)6)13-16(19)14(3)12-18(22)17(21)8-2/h9-10,13-14,17-18,22H,7-8,11-12,21H2,1-6H3
InChIKeyDGIBETALUUKGKF-UHFFFAOYSA-N
XLogP4.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol
CID 82264401
4-tert-butyl-2-(4-chlorobutan-2-yl)-1-propoxybenzene
CID 83935565
2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol
CID 83921250
5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol
CID 83933462
5-amino-2-(4-propoxyphenyl)heptan-4-ol
CID 83932372
4-tert-butyl-2-(3-methylhex-4-yn-2-yl)-1-propoxybenzene
CID 83935637
1-(5-tert-butyl-2-octoxyphenyl)propan-1-ol
CID 141201801
5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol
CID 83938537
5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol
CID 83941032
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol
CID 83943371
1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol
CID 83944229
1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol
CID 83933454

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol?
The IUPAC name of 5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol (CID 83935661) is 5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol.
What is the SMILES notation for 5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol?
The canonical SMILES for 5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol is CCCOc1ccc(C(C)(C)C)cc1C(C)CC(O)C(N)CC.
What is the InChIKey of 5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol?
The InChIKey is DGIBETALUUKGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2/c1-7-11-23-19-10-9-15(20(4,5)6)13-16(19)14(3)12-18(22)17(21)8-2/h9-10,13-14,17-18,22H,7-8,11-12,21H2,1-6H3.
What are the key properties of 5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol?
5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol has a molecular weight of 321.51 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol is sourced from PubChem (CID 83935661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).