2-(2-nonylanilino)ethanol

C17H29NO — CID 160982770

IUPAC2-(2-nonylanilino)ethanol
SMILESCCCCCCCCCc1ccccc1NCCO
InChIInChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-17(16)18-14-15-19/h9-10,12-13,18-19H,2-8,11,14-15H2,1H3
InChIKeyDKAHHOXQUJYMLK-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.38
Rot. Bonds11

About 2-(2-nonylanilino)ethanol

2-(2-nonylanilino)ethanol (PubChem CID 160982770) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(2-nonylanilino)ethanol.

Molecular Properties

Compound Name2-(2-nonylanilino)ethanol
PubChem CID160982770
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-(2-nonylanilino)ethanol
SMILESCCCCCCCCCc1ccccc1NCCO
InChIInChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-17(16)18-14-15-19/h9-10,12-13,18-19H,2-8,11,14-15H2,1H3
InChIKeyDKAHHOXQUJYMLK-UHFFFAOYSA-N
XLogP4.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butylanilino)ethanol
CID 139597188
2-(2-dodecylanilino)acetic acid
CID 22628781
(2-heptadecylphenyl)carbamic acid
CID 71374202
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
(2-octylphenyl)methanol
CID 19826681
(2-heptylphenyl)carbamodithioic acid
CID 14981915
6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide
CID 101051335
tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate
CID 123143474

Frequently Asked Questions

What is the IUPAC name of 2-(2-nonylanilino)ethanol?
The IUPAC name of 2-(2-nonylanilino)ethanol (CID 160982770) is 2-(2-nonylanilino)ethanol.
What is the SMILES notation for 2-(2-nonylanilino)ethanol?
The canonical SMILES for 2-(2-nonylanilino)ethanol is CCCCCCCCCc1ccccc1NCCO.
What is the InChIKey of 2-(2-nonylanilino)ethanol?
The InChIKey is DKAHHOXQUJYMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-17(16)18-14-15-19/h9-10,12-13,18-19H,2-8,11,14-15H2,1H3.
What are the key properties of 2-(2-nonylanilino)ethanol?
2-(2-nonylanilino)ethanol has a molecular weight of 263.43 g/mol, XLogP of 4.38, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nonylanilino)ethanol is sourced from PubChem (CID 160982770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).