6-[hexyl-[2-[4-(2-propoxyethoxy)phenyl]ethyl]amino]hexan-2-ol

C25H45NO3 — CID 164595609

IUPAC6-[hexyl-[2-[4-(2-propoxyethoxy)phenyl]ethyl]amino]hexan-2-ol
SMILESCCCCCCN(CCCCC(C)O)CCc1ccc(OCCOCCC)cc1
InChIInChI=1S/C25H45NO3/c1-4-6-7-9-17-26(18-10-8-11-23(3)27)19-16-24-12-14-25(15-13-24)29-22-21-28-20-5-2/h12-15,23,27H,4-11,16-22H2,1-3H3
InChIKeyFZGLTWYIARDVRM-UHFFFAOYSA-N
MW407.64 g/mol
LogP5.47
Rot. Bonds19

About 6-[hexyl-[2-[4-(2-propoxyethoxy)phenyl]ethyl]amino]hexan-2-ol

6-[hexyl-[2-[4-(2-propoxyethoxy)phenyl]ethyl]amino]hexan-2-ol (PubChem CID 164595609) has the molecular formula C25H45NO3 and a molecular weight of 407.64 g/mol. Its IUPAC name is 6-[hexyl-[2-[4-(2-propoxyethoxy)phenyl]ethyl]amino]hexan-2-ol.

Molecular Properties

Compound Name6-[hexyl-[2-[4-(2-propoxyethoxy)phenyl]ethyl]amino]hexan-2-ol
PubChem CID164595609
Molecular FormulaC25H45NO3
Molecular Weight407.64 g/mol
Exact Mass407.34
IUPAC Name6-[hexyl-[2-[4-(2-propoxyethoxy)phenyl]ethyl]amino]hexan-2-ol
SMILESCCCCCCN(CCCCC(C)O)CCc1ccc(OCCOCCC)cc1
InChIInChI=1S/C25H45NO3/c1-4-6-7-9-17-26(18-10-8-11-23(3)27)19-16-24-12-14-25(15-13-24)29-22-21-28-20-5-2/h12-15,23,27H,4-11,16-22H2,1-3H3
InChIKeyFZGLTWYIARDVRM-UHFFFAOYSA-N
XLogP5.47
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.64
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
CID 61483224
1-hexyl-4-(2-propoxyethoxy)benzene
CID 91210467
(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
4-[4-(4-decoxyphenyl)phenyl]butan-2-ol
CID 18927874
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
CID 139672885
5-(4-heptoxyphenyl)-3-methylpentan-2-ol
CID 143147990
4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol
CID 43504128
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-hexadecylhexadecan-1-amine
CID 12760487
4-[4-[2-[dodecyl(propyl)amino]ethoxy]phenyl]-1,1,1-trifluorobutan-2-one
CID 18319054
1-(5-bromohexoxy)-4-hexylbenzene
CID 91231401

Frequently Asked Questions

What is the IUPAC name of 6-[hexyl-[2-[4-(2-propoxyethoxy)phenyl]ethyl]amino]hexan-2-ol?
The IUPAC name of 6-[hexyl-[2-[4-(2-propoxyethoxy)phenyl]ethyl]amino]hexan-2-ol (CID 164595609) is 6-[hexyl-[2-[4-(2-propoxyethoxy)phenyl]ethyl]amino]hexan-2-ol.
What is the SMILES notation for 6-[hexyl-[2-[4-(2-propoxyethoxy)phenyl]ethyl]amino]hexan-2-ol?
The canonical SMILES for 6-[hexyl-[2-[4-(2-propoxyethoxy)phenyl]ethyl]amino]hexan-2-ol is CCCCCCN(CCCCC(C)O)CCc1ccc(OCCOCCC)cc1.
What is the InChIKey of 6-[hexyl-[2-[4-(2-propoxyethoxy)phenyl]ethyl]amino]hexan-2-ol?
The InChIKey is FZGLTWYIARDVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45NO3/c1-4-6-7-9-17-26(18-10-8-11-23(3)27)19-16-24-12-14-25(15-13-24)29-22-21-28-20-5-2/h12-15,23,27H,4-11,16-22H2,1-3H3.
What are the key properties of 6-[hexyl-[2-[4-(2-propoxyethoxy)phenyl]ethyl]amino]hexan-2-ol?
6-[hexyl-[2-[4-(2-propoxyethoxy)phenyl]ethyl]amino]hexan-2-ol has a molecular weight of 407.64 g/mol, XLogP of 5.47, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hexyl-[2-[4-(2-propoxyethoxy)phenyl]ethyl]amino]hexan-2-ol is sourced from PubChem (CID 164595609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).