3-methyl-2-phenoxy-N-propylbutan-1-amine

C14H23NO — CID 62454475

IUPAC3-methyl-2-phenoxy-N-propylbutan-1-amine
SMILESCCCNCC(Oc1ccccc1)C(C)C
InChIInChI=1S/C14H23NO/c1-4-10-15-11-14(12(2)3)16-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3
InChIKeyGAVDNJFVWIFUEX-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.09
Rot. Bonds7

About 3-methyl-2-phenoxy-N-propylbutan-1-amine

3-methyl-2-phenoxy-N-propylbutan-1-amine (PubChem CID 62454475) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-methyl-2-phenoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-phenoxy-N-propylbutan-1-amine
PubChem CID62454475
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-methyl-2-phenoxy-N-propylbutan-1-amine
SMILESCCCNCC(Oc1ccccc1)C(C)C
InChIInChI=1S/C14H23NO/c1-4-10-15-11-14(12(2)3)16-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3
InChIKeyGAVDNJFVWIFUEX-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.09
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

3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63498370
2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine
CID 62454884
2-(3-ethoxyphenoxy)-3-methyl-N-propylbutan-1-amine
CID 62442572
2-(3-tert-butylphenoxy)-3-methyl-N-propylbutan-1-amine
CID 63498609
2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine
CID 62485354
N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine
CID 63491979
N-(2-phenoxy-2-phenylethyl)propan-1-amine
CID 62452576
3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 63496310
N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine
CID 62450460
2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453543
3-methyl-2-(2-methyl-5-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63497031
2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine
CID 107286248

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenoxy-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-2-phenoxy-N-propylbutan-1-amine (CID 62454475) is 3-methyl-2-phenoxy-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-phenoxy-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-2-phenoxy-N-propylbutan-1-amine is CCCNCC(Oc1ccccc1)C(C)C.
What is the InChIKey of 3-methyl-2-phenoxy-N-propylbutan-1-amine?
The InChIKey is GAVDNJFVWIFUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-10-15-11-14(12(2)3)16-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3.
What are the key properties of 3-methyl-2-phenoxy-N-propylbutan-1-amine?
3-methyl-2-phenoxy-N-propylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenoxy-N-propylbutan-1-amine is sourced from PubChem (CID 62454475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).