N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine

C16H26N2O — CID 115206704

IUPACN'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
SMILESCOc1ccc(C(C)(C)C)cc1NCCNC1CC1
InChIInChI=1S/C16H26N2O/c1-16(2,3)12-5-8-15(19-4)14(11-12)18-10-9-17-13-6-7-13/h5,8,11,13,17-18H,6-7,9-10H2,1-4H3
InChIKeyNHLDVFXZHAVVTK-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.16
Rot. Bonds6

About N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine

N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine (PubChem CID 115206704) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
PubChem CID115206704
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
SMILESCOc1ccc(C(C)(C)C)cc1NCCNC1CC1
InChIInChI=1S/C16H26N2O/c1-16(2,3)12-5-8-15(19-4)14(11-12)18-10-9-17-13-6-7-13/h5,8,11,13,17-18H,6-7,9-10H2,1-4H3
InChIKeyNHLDVFXZHAVVTK-UHFFFAOYSA-N
XLogP3.16
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine
CID 96672535
N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine
CID 115200968
3-(5-tert-butyl-2-methoxyanilino)propane-1-thiol
CID 115224564
N-cyclopropyl-N'-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 115206789
N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 79829925
N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine
CID 115206741
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 62595328
5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline
CID 106871662
1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine
CID 115196249
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527
5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60687872

Frequently Asked Questions

What is the IUPAC name of N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine?
The IUPAC name of N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine (CID 115206704) is N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine?
The canonical SMILES for N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine is COc1ccc(C(C)(C)C)cc1NCCNC1CC1.
What is the InChIKey of N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine?
The InChIKey is NHLDVFXZHAVVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,3)12-5-8-15(19-4)14(11-12)18-10-9-17-13-6-7-13/h5,8,11,13,17-18H,6-7,9-10H2,1-4H3.
What are the key properties of N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine?
N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 115206704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).