N-tert-butyl-5-(4-chloro-3,5-dimethylphenoxy)pentan-1-amine

C17H28ClNO — CID 63497724

IUPACN-tert-butyl-5-(4-chloro-3,5-dimethylphenoxy)pentan-1-amine
SMILESCc1cc(OCCCCCNC(C)(C)C)cc(C)c1Cl
InChIInChI=1S/C17H28ClNO/c1-13-11-15(12-14(2)16(13)18)20-10-8-6-7-9-19-17(3,4)5/h11-12,19H,6-10H2,1-5H3
InChIKeyGWRDFMJEEOOFSM-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.89
Rot. Bonds7

About N-tert-butyl-5-(4-chloro-3,5-dimethylphenoxy)pentan-1-amine

N-tert-butyl-5-(4-chloro-3,5-dimethylphenoxy)pentan-1-amine (PubChem CID 63497724) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is N-tert-butyl-5-(4-chloro-3,5-dimethylphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(4-chloro-3,5-dimethylphenoxy)pentan-1-amine
PubChem CID63497724
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC NameN-tert-butyl-5-(4-chloro-3,5-dimethylphenoxy)pentan-1-amine
SMILESCc1cc(OCCCCCNC(C)(C)C)cc(C)c1Cl
InChIInChI=1S/C17H28ClNO/c1-13-11-15(12-14(2)16(13)18)20-10-8-6-7-9-19-17(3,4)5/h11-12,19H,6-10H2,1-5H3
InChIKeyGWRDFMJEEOOFSM-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.89
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-tert-butyl-4-(3,5-dichlorophenoxy)butan-1-amine
CID 62485378
N-tert-butyl-4-(3,5-dimethylphenoxy)butan-1-amine
CID 2250755
2-[5-(4-chloro-3,5-dimethylphenoxy)pentylamino]ethanol
CID 2250138
N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine
CID 63498749
4-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 62584314
N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine
CID 63497163
N-tert-butyl-5-(2,3,5-trimethylphenoxy)pentan-1-amine
CID 63497364
2-chloro-1,3-dimethyl-5-propoxybenzene
CID 123140196
N-tert-butyl-2-[(4-chloro-3,5-dimethylphenoxy)methyl]prop-2-en-1-amine
CID 103066935
N-tert-butyl-4-(2,3,6-trimethylphenoxy)butan-1-amine
CID 62485325
N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 55073143
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(4-chloro-3,5-dimethylphenoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-5-(4-chloro-3,5-dimethylphenoxy)pentan-1-amine (CID 63497724) is N-tert-butyl-5-(4-chloro-3,5-dimethylphenoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(4-chloro-3,5-dimethylphenoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(4-chloro-3,5-dimethylphenoxy)pentan-1-amine is Cc1cc(OCCCCCNC(C)(C)C)cc(C)c1Cl.
What is the InChIKey of N-tert-butyl-5-(4-chloro-3,5-dimethylphenoxy)pentan-1-amine?
The InChIKey is GWRDFMJEEOOFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-13-11-15(12-14(2)16(13)18)20-10-8-6-7-9-19-17(3,4)5/h11-12,19H,6-10H2,1-5H3.
What are the key properties of N-tert-butyl-5-(4-chloro-3,5-dimethylphenoxy)pentan-1-amine?
N-tert-butyl-5-(4-chloro-3,5-dimethylphenoxy)pentan-1-amine has a molecular weight of 297.87 g/mol, XLogP of 4.89, 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-chloro-3,5-dimethylphenoxy)pentan-1-amine is sourced from PubChem (CID 63497724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).