N-decyl-4-(10,10-difluorodecoxy)aniline

C26H45F2NO — CID 151807579

IUPACN-decyl-4-(10,10-difluorodecoxy)aniline
SMILESCCCCCCCCCCNc1ccc(OCCCCCCCCCC(F)F)cc1
InChIInChI=1S/C26H45F2NO/c1-2-3-4-5-6-9-12-15-22-29-24-18-20-25(21-19-24)30-23-16-13-10-7-8-11-14-17-26(27)28/h18-21,26,29H,2-17,22-23H2,1H3
InChIKeyRZXXNZVTRGTKMT-UHFFFAOYSA-N
MW425.65 g/mol
LogP9.00
Rot. Bonds21

About N-decyl-4-(10,10-difluorodecoxy)aniline

N-decyl-4-(10,10-difluorodecoxy)aniline (PubChem CID 151807579) has the molecular formula C26H45F2NO and a molecular weight of 425.65 g/mol. Its IUPAC name is N-decyl-4-(10,10-difluorodecoxy)aniline.

Molecular Properties

Compound NameN-decyl-4-(10,10-difluorodecoxy)aniline
PubChem CID151807579
Molecular FormulaC26H45F2NO
Molecular Weight425.65 g/mol
Exact Mass425.35
IUPAC NameN-decyl-4-(10,10-difluorodecoxy)aniline
SMILESCCCCCCCCCCNc1ccc(OCCCCCCCCCC(F)F)cc1
InChIInChI=1S/C26H45F2NO/c1-2-3-4-5-6-9-12-15-22-29-24-18-20-25(21-19-24)30-23-16-13-10-7-8-11-14-17-26(27)28/h18-21,26,29H,2-17,22-23H2,1H3
InChIKeyRZXXNZVTRGTKMT-UHFFFAOYSA-N
XLogP9.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.65
LogP ≤ 59.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 15112153
N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015
N-hexyl-4-(2-phenoxyethoxy)aniline
CID 54799916
N-butyl-N'-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54807141
N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54806949
3-[4-(hexylamino)phenoxy]propanamide
CID 43676527
4-decoxy-N-(4-decoxyphenyl)aniline
CID 19796048
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334
N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
CID 54799653
N-(4-hexoxyphenyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 54806834
N'-(3-chlorophenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54806277

Frequently Asked Questions

What is the IUPAC name of N-decyl-4-(10,10-difluorodecoxy)aniline?
The IUPAC name of N-decyl-4-(10,10-difluorodecoxy)aniline (CID 151807579) is N-decyl-4-(10,10-difluorodecoxy)aniline.
What is the SMILES notation for N-decyl-4-(10,10-difluorodecoxy)aniline?
The canonical SMILES for N-decyl-4-(10,10-difluorodecoxy)aniline is CCCCCCCCCCNc1ccc(OCCCCCCCCCC(F)F)cc1.
What is the InChIKey of N-decyl-4-(10,10-difluorodecoxy)aniline?
The InChIKey is RZXXNZVTRGTKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45F2NO/c1-2-3-4-5-6-9-12-15-22-29-24-18-20-25(21-19-24)30-23-16-13-10-7-8-11-14-17-26(27)28/h18-21,26,29H,2-17,22-23H2,1H3.
What are the key properties of N-decyl-4-(10,10-difluorodecoxy)aniline?
N-decyl-4-(10,10-difluorodecoxy)aniline has a molecular weight of 425.65 g/mol, XLogP of 9.00, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-4-(10,10-difluorodecoxy)aniline is sourced from PubChem (CID 151807579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).