N-ethyl-N-[1-(2-nonylphenoxy)ethyl]aniline

C25H37NO — CID 21407334

IUPACN-ethyl-N-[1-(2-nonylphenoxy)ethyl]aniline
SMILESCCCCCCCCCc1ccccc1OC(C)N(CC)c1ccccc1
InChIInChI=1S/C25H37NO/c1-4-6-7-8-9-10-12-17-23-18-15-16-21-25(23)27-22(3)26(5-2)24-19-13-11-14-20-24/h11,13-16,18-22H,4-10,12,17H2,1-3H3
InChIKeyURRZTNNRSAZVAG-UHFFFAOYSA-N
MW367.58 g/mol
LogP7.23
Rot. Bonds13

About N-ethyl-N-[1-(2-nonylphenoxy)ethyl]aniline

N-ethyl-N-[1-(2-nonylphenoxy)ethyl]aniline (PubChem CID 21407334) has the molecular formula C25H37NO and a molecular weight of 367.58 g/mol. Its IUPAC name is N-ethyl-N-[1-(2-nonylphenoxy)ethyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-[1-(2-nonylphenoxy)ethyl]aniline
PubChem CID21407334
Molecular FormulaC25H37NO
Molecular Weight367.58 g/mol
Exact Mass367.29
IUPAC NameN-ethyl-N-[1-(2-nonylphenoxy)ethyl]aniline
SMILESCCCCCCCCCc1ccccc1OC(C)N(CC)c1ccccc1
InChIInChI=1S/C25H37NO/c1-4-6-7-8-9-10-12-17-23-18-15-16-21-25(23)27-22(3)26(5-2)24-19-13-11-14-20-24/h11,13-16,18-22H,4-10,12,17H2,1-3H3
InChIKeyURRZTNNRSAZVAG-UHFFFAOYSA-N
XLogP7.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-dodecylphenoxy)ethanol
CID 175113805
2-[2-(2-nonylphenoxy)propyl]phenol
CID 67180434
1-methoxy-2-tetradecylbenzene
CID 69169530
bis(2-hexylphenoxy)-dioctylstannane
CID 16703988
1-pentadecyl-2-phenoxybenzene
CID 101290758
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973
1-decyl-2-ethoxybenzene
CID 175243335
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
(2-octylphenoxy)phosphane
CID 163637323
sodium;1-dodecyl-2-(2-dodecylphenoxy)benzene;hydride
CID 173150069
N-butyl-N-[1-(2-propan-2-ylphenoxy)ethyl]aniline
CID 70632939

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(2-nonylphenoxy)ethyl]aniline?
The IUPAC name of N-ethyl-N-[1-(2-nonylphenoxy)ethyl]aniline (CID 21407334) is N-ethyl-N-[1-(2-nonylphenoxy)ethyl]aniline.
What is the SMILES notation for N-ethyl-N-[1-(2-nonylphenoxy)ethyl]aniline?
The canonical SMILES for N-ethyl-N-[1-(2-nonylphenoxy)ethyl]aniline is CCCCCCCCCc1ccccc1OC(C)N(CC)c1ccccc1.
What is the InChIKey of N-ethyl-N-[1-(2-nonylphenoxy)ethyl]aniline?
The InChIKey is URRZTNNRSAZVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO/c1-4-6-7-8-9-10-12-17-23-18-15-16-21-25(23)27-22(3)26(5-2)24-19-13-11-14-20-24/h11,13-16,18-22H,4-10,12,17H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(2-nonylphenoxy)ethyl]aniline?
N-ethyl-N-[1-(2-nonylphenoxy)ethyl]aniline has a molecular weight of 367.58 g/mol, XLogP of 7.23, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(2-nonylphenoxy)ethyl]aniline is sourced from PubChem (CID 21407334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).