N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine

C14H23NO — CID 61036143

IUPACN-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
SMILESCNCCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C14H23NO/c1-11(2)13-7-6-12(3)14(10-13)16-9-5-8-15-4/h6-7,10-11,15H,5,8-9H2,1-4H3
InChIKeyYQXZBTBBRRKSDT-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.11
Rot. Bonds6

About N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine

N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine (PubChem CID 61036143) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
PubChem CID61036143
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
SMILESCNCCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C14H23NO/c1-11(2)13-7-6-12(3)14(10-13)16-9-5-8-15-4/h6-7,10-11,15H,5,8-9H2,1-4H3
InChIKeyYQXZBTBBRRKSDT-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.11
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-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine
CID 63497734
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene
CID 2285673
N-methyl-1-[4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
CID 63552391
2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 103184405
N'-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2276634
2-[2-(2-methoxyphenoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283991
N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine
CID 2276631

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine?
The IUPAC name of N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine (CID 61036143) is N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine.
What is the SMILES notation for N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine?
The canonical SMILES for N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine is CNCCCOc1cc(C(C)C)ccc1C.
What is the InChIKey of N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine?
The InChIKey is YQXZBTBBRRKSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)13-7-6-12(3)14(10-13)16-9-5-8-15-4/h6-7,10-11,15H,5,8-9H2,1-4H3.
What are the key properties of N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine?
N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine is sourced from PubChem (CID 61036143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).