N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine

C17H29NO — CID 65305391

IUPACN-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine
SMILESCOc1ccc(CCCCCNC(C)(C)C)cc1C
InChIInChI=1S/C17H29NO/c1-14-13-15(10-11-16(14)19-5)9-7-6-8-12-18-17(2,3)4/h10-11,13,18H,6-9,12H2,1-5H3
InChIKeyBZDOKWMMFDNJFN-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.10
Rot. Bonds7

About N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine

N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine (PubChem CID 65305391) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine
PubChem CID65305391
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine
SMILESCOc1ccc(CCCCCNC(C)(C)C)cc1C
InChIInChI=1S/C17H29NO/c1-14-13-15(10-11-16(14)19-5)9-7-6-8-12-18-17(2,3)4/h10-11,13,18H,6-9,12H2,1-5H3
InChIKeyBZDOKWMMFDNJFN-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine
CID 65305186
N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine
CID 98014025
4-(3-chloropropyl)-1-methoxy-2-methylbenzene
CID 116926643
5-(4-methoxy-3-methylphenyl)pentanenitrile
CID 96657164
N-tert-butyl-6-(4-ethylphenyl)hexan-1-amine
CID 65308895
N-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine
CID 62450478
5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine
CID 65305287
N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine
CID 65308639
4-[4-(tert-butylamino)butyl]benzene-1,2-diol;hydrobromide
CID 71379239
N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 64867078
N-ethyl-2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethanamine
CID 65303073
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-2,2-dimethylpropanenitrile
CID 115234199

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine?
The IUPAC name of N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine (CID 65305391) is N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine is COc1ccc(CCCCCNC(C)(C)C)cc1C.
What is the InChIKey of N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine?
The InChIKey is BZDOKWMMFDNJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14-13-15(10-11-16(14)19-5)9-7-6-8-12-18-17(2,3)4/h10-11,13,18H,6-9,12H2,1-5H3.
What are the key properties of N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine?
N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine is sourced from PubChem (CID 65305391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).