1-(3-propan-2-ylphenoxy)butan-2-amine

C13H21NO — CID 62039542

IUPAC1-(3-propan-2-ylphenoxy)butan-2-amine
SMILESCCC(N)COc1cccc(C(C)C)c1
InChIInChI=1S/C13H21NO/c1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3/h5-8,10,12H,4,9,14H2,1-3H3
InChIKeyPCNBFIGJDAPUMO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.93
Rot. Bonds5

About 1-(3-propan-2-ylphenoxy)butan-2-amine

1-(3-propan-2-ylphenoxy)butan-2-amine (PubChem CID 62039542) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-propan-2-ylphenoxy)butan-2-amine.

Molecular Properties

Compound Name1-(3-propan-2-ylphenoxy)butan-2-amine
PubChem CID62039542
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(3-propan-2-ylphenoxy)butan-2-amine
SMILESCCC(N)COc1cccc(C(C)C)c1
InChIInChI=1S/C13H21NO/c1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3/h5-8,10,12H,4,9,14H2,1-3H3
InChIKeyPCNBFIGJDAPUMO-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine
CID 82353726
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 142361256
1-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-amine
CID 59849562
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
N-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine
CID 62041686
1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348
1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine
CID 80626959
1-(2-bromo-3,3,3-trifluoropropoxy)-3-propan-2-ylbenzene
CID 64758716
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylphenoxy)butan-2-amine?
The IUPAC name of 1-(3-propan-2-ylphenoxy)butan-2-amine (CID 62039542) is 1-(3-propan-2-ylphenoxy)butan-2-amine.
What is the SMILES notation for 1-(3-propan-2-ylphenoxy)butan-2-amine?
The canonical SMILES for 1-(3-propan-2-ylphenoxy)butan-2-amine is CCC(N)COc1cccc(C(C)C)c1.
What is the InChIKey of 1-(3-propan-2-ylphenoxy)butan-2-amine?
The InChIKey is PCNBFIGJDAPUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3/h5-8,10,12H,4,9,14H2,1-3H3.
What are the key properties of 1-(3-propan-2-ylphenoxy)butan-2-amine?
1-(3-propan-2-ylphenoxy)butan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylphenoxy)butan-2-amine is sourced from PubChem (CID 62039542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).