N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine

C18H32N2O — CID 54806949

IUPACN'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine
SMILESCCCCCCOc1ccc(NCCNC(C)(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-5-6-7-8-15-21-17-11-9-16(10-12-17)19-13-14-20-18(2,3)4/h9-12,19-20H,5-8,13-15H2,1-4H3
InChIKeyZUIFIBXTMFMMMQ-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.45
Rot. Bonds10

About N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine

N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine (PubChem CID 54806949) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine
PubChem CID54806949
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine
SMILESCCCCCCOc1ccc(NCCNC(C)(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-5-6-7-8-15-21-17-11-9-16(10-12-17)19-13-14-20-18(2,3)4/h9-12,19-20H,5-8,13-15H2,1-4H3
InChIKeyZUIFIBXTMFMMMQ-UHFFFAOYSA-N
XLogP4.45
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015
N-butyl-N'-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54807141
4-butoxy-N-butylaniline
CID 15112153
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334
N-decyl-4-(10,10-difluorodecoxy)aniline
CID 151807579
N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54808512
N-(4-hexoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806257
N-(4-heptoxyphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine
CID 54807195
N-hexyl-4-(2-phenoxyethoxy)aniline
CID 54799916
4-decoxy-N-(4-decoxyphenyl)aniline
CID 19796048
N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
CID 54799653

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine (CID 54806949) is N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine is CCCCCCOc1ccc(NCCNC(C)(C)C)cc1.
What is the InChIKey of N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine?
The InChIKey is ZUIFIBXTMFMMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-6-7-8-15-21-17-11-9-16(10-12-17)19-13-14-20-18(2,3)4/h9-12,19-20H,5-8,13-15H2,1-4H3.
What are the key properties of N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine?
N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54806949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).