N-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine

C17H29NO2 — CID 62450478

IUPACN-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine
SMILESCOc1cc(C)ccc1OCCCCCNC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-14-9-10-15(16(13-14)19-5)20-12-8-6-7-11-18-17(2,3)4/h9-10,13,18H,6-8,11-12H2,1-5H3
InChIKeyXTGIBZQVPXLLOQ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds8

About N-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine

N-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine (PubChem CID 62450478) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine
PubChem CID62450478
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine
SMILESCOc1cc(C)ccc1OCCCCCNC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-14-9-10-15(16(13-14)19-5)20-12-8-6-7-11-18-17(2,3)4/h9-10,13,18H,6-8,11-12H2,1-5H3
InChIKeyXTGIBZQVPXLLOQ-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-(2-methoxyphenoxy)butan-1-amine
CID 2248871
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422
N-tert-butyl-5-(2,3,5-trimethylphenoxy)pentan-1-amine
CID 63497364
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine
CID 2865567
N-tert-butyl-4-(4-methyl-2-nitrophenoxy)butan-1-amine
CID 2296570
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]-2-methylpropan-2-amine;hydrochloride
CID 2866024
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
N-[2-(2-chloro-4-methylphenoxy)ethyl]-2-methylpropan-2-amine
CID 2261894
2-[4-(2-methoxy-4-methylphenoxy)butoxy]-1,3,4-trimethylbenzene
CID 2285808
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine
CID 63492667
N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine
CID 65305391

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine (CID 62450478) is N-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine is COc1cc(C)ccc1OCCCCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine?
The InChIKey is XTGIBZQVPXLLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14-9-10-15(16(13-14)19-5)20-12-8-6-7-11-18-17(2,3)4/h9-10,13,18H,6-8,11-12H2,1-5H3.
What are the key properties of N-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine?
N-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine is sourced from PubChem (CID 62450478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).