5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine

C18H31NO — CID 63497734

IUPAC5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine
SMILESCc1ccc(C(C)C)cc1OCCCCCNC(C)C
InChIInChI=1S/C18H31NO/c1-14(2)17-10-9-16(5)18(13-17)20-12-8-6-7-11-19-15(3)4/h9-10,13-15,19H,6-8,11-12H2,1-5H3
InChIKeyLPAVTSCMYHXNMX-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.67
Rot. Bonds9

About 5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine

5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine (PubChem CID 63497734) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine
PubChem CID63497734
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine
SMILESCc1ccc(C(C)C)cc1OCCCCCNC(C)C
InChIInChI=1S/C18H31NO/c1-14(2)17-10-9-16(5)18(13-17)20-12-8-6-7-11-19-15(3)4/h9-10,13-15,19H,6-8,11-12H2,1-5H3
InChIKeyLPAVTSCMYHXNMX-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.67
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

2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
N-butan-2-yl-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-amine;oxalic acid
CID 2934388
N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 61036143
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene
CID 2285673
2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 103184405
2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
CID 64810580
N'-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2276634
4-(2-methyl-5-propan-2-ylphenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63029815
2-[2-(2-methoxyphenoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283991

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine (CID 63497734) is 5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine is Cc1ccc(C(C)C)cc1OCCCCCNC(C)C.
What is the InChIKey of 5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine?
The InChIKey is LPAVTSCMYHXNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-14(2)17-10-9-16(5)18(13-17)20-12-8-6-7-11-19-15(3)4/h9-10,13-15,19H,6-8,11-12H2,1-5H3.
What are the key properties of 5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine?
5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 63497734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).