9H-fluorene;4-phenyl-4-(triethoxymethyl)dodecan-1-amine

C38H55NO3 — CID 159765705

IUPAC9H-fluorene;4-phenyl-4-(triethoxymethyl)dodecan-1-amine
SMILESCCCCCCCCC(CCCN)(c1ccccc1)C(OCC)(OCC)OCC.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C25H45NO3.C13H10/c1-5-9-10-11-12-16-20-24(21-17-22-26,23-18-14-13-15-19-23)25(27-6-2,28-7-3)29-8-4;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h13-15,18-19H,5-12,16-17,20-22,26H2,1-4H3;1-8H,9H2
InChIKeyNFLVHBUFIZKBBQ-UHFFFAOYSA-N
MW573.86 g/mol
LogP9.44
Rot. Bonds18

About 9H-fluorene;4-phenyl-4-(triethoxymethyl)dodecan-1-amine

9H-fluorene;4-phenyl-4-(triethoxymethyl)dodecan-1-amine (PubChem CID 159765705) has the molecular formula C38H55NO3 and a molecular weight of 573.86 g/mol. Its IUPAC name is 9H-fluorene;4-phenyl-4-(triethoxymethyl)dodecan-1-amine.

Molecular Properties

Compound Name9H-fluorene;4-phenyl-4-(triethoxymethyl)dodecan-1-amine
PubChem CID159765705
Molecular FormulaC38H55NO3
Molecular Weight573.86 g/mol
Exact Mass573.42
IUPAC Name9H-fluorene;4-phenyl-4-(triethoxymethyl)dodecan-1-amine
SMILESCCCCCCCCC(CCCN)(c1ccccc1)C(OCC)(OCC)OCC.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C25H45NO3.C13H10/c1-5-9-10-11-12-16-20-24(21-17-22-26,23-18-14-13-15-19-23)25(27-6-2,28-7-3)29-8-4;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h13-15,18-19H,5-12,16-17,20-22,26H2,1-4H3;1-8H,9H2
InChIKeyNFLVHBUFIZKBBQ-UHFFFAOYSA-N
XLogP9.44
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.86
LogP ≤ 59.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1,1,1-triethoxy-2-(ethoxymethyl)decan-2-yl]benzene
CID 150875588
9H-fluorene;henicosane
CID 174789372
9H-fluorene;hexane-1,6-diamine
CID 19108206
bis(9H-fluorene);pentane
CID 159146463
(1-ethoxy-1-phenyldecyl)benzene
CID 150440609
2-ethoxy-2-phenyldecan-1-ol
CID 66778528
(2-butoxy-1,1,1-triethoxydecan-2-yl)benzene
CID 151224726
9H-fluorene;nonylbenzene
CID 161236553
ethanamine;9H-fluorene
CID 158316259
ethane-1,2-diamine;9H-fluorene
CID 159422270
7-(7-phenyltridecan-7-ylperoxy)tridecan-7-ylbenzene
CID 154126549
1,1-diphenyldodecan-1-amine
CID 19925745

Frequently Asked Questions

What is the IUPAC name of 9H-fluorene;4-phenyl-4-(triethoxymethyl)dodecan-1-amine?
The IUPAC name of 9H-fluorene;4-phenyl-4-(triethoxymethyl)dodecan-1-amine (CID 159765705) is 9H-fluorene;4-phenyl-4-(triethoxymethyl)dodecan-1-amine.
What is the SMILES notation for 9H-fluorene;4-phenyl-4-(triethoxymethyl)dodecan-1-amine?
The canonical SMILES for 9H-fluorene;4-phenyl-4-(triethoxymethyl)dodecan-1-amine is CCCCCCCCC(CCCN)(c1ccccc1)C(OCC)(OCC)OCC.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene;4-phenyl-4-(triethoxymethyl)dodecan-1-amine?
The InChIKey is NFLVHBUFIZKBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45NO3.C13H10/c1-5-9-10-11-12-16-20-24(21-17-22-26,23-18-14-13-15-19-23)25(27-6-2,28-7-3)29-8-4;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h13-15,18-19H,5-12,16-17,20-22,26H2,1-4H3;1-8H,9H2.
What are the key properties of 9H-fluorene;4-phenyl-4-(triethoxymethyl)dodecan-1-amine?
9H-fluorene;4-phenyl-4-(triethoxymethyl)dodecan-1-amine has a molecular weight of 573.86 g/mol, XLogP of 9.44, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;4-phenyl-4-(triethoxymethyl)dodecan-1-amine is sourced from PubChem (CID 159765705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).