3-(3-tert-butylphenoxy)butan-1-amine

C14H23NO — CID 70646087

IUPAC3-(3-tert-butylphenoxy)butan-1-amine
SMILESCC(CCN)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H23NO/c1-11(8-9-15)16-13-7-5-6-12(10-13)14(2,3)4/h5-7,10-11H,8-9,15H2,1-4H3
InChIKeyVRLGYPCEKAQKQY-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.10
Rot. Bonds4

About 3-(3-tert-butylphenoxy)butan-1-amine

3-(3-tert-butylphenoxy)butan-1-amine (PubChem CID 70646087) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(3-tert-butylphenoxy)butan-1-amine.

Molecular Properties

Compound Name3-(3-tert-butylphenoxy)butan-1-amine
PubChem CID70646087
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(3-tert-butylphenoxy)butan-1-amine
SMILESCC(CCN)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H23NO/c1-11(8-9-15)16-13-7-5-6-12(10-13)14(2,3)4/h5-7,10-11H,8-9,15H2,1-4H3
InChIKeyVRLGYPCEKAQKQY-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine
CID 126671936
N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine
CID 63496114
3-(3-ethoxyphenoxy)butan-1-amine
CID 112507822
4-(3-tert-butylphenoxy)-N-propylpentan-1-amine
CID 63496113
N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine
CID 139475190
4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine
CID 64706884
4-(4-aminobutan-2-yloxy)-2-tert-butylphenol
CID 54454280
1-pentan-2-yloxy-3-(trifluoromethyl)benzene
CID 54046925
methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate
CID 64708339
(2S)-4-(3-tert-butylphenoxy)butan-2-amine
CID 39245152
3-(3-chlorophenoxy)butan-1-amine;propanoic acid
CID 142907984
4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453134

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylphenoxy)butan-1-amine?
The IUPAC name of 3-(3-tert-butylphenoxy)butan-1-amine (CID 70646087) is 3-(3-tert-butylphenoxy)butan-1-amine.
What is the SMILES notation for 3-(3-tert-butylphenoxy)butan-1-amine?
The canonical SMILES for 3-(3-tert-butylphenoxy)butan-1-amine is CC(CCN)Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of 3-(3-tert-butylphenoxy)butan-1-amine?
The InChIKey is VRLGYPCEKAQKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(8-9-15)16-13-7-5-6-12(10-13)14(2,3)4/h5-7,10-11H,8-9,15H2,1-4H3.
What are the key properties of 3-(3-tert-butylphenoxy)butan-1-amine?
3-(3-tert-butylphenoxy)butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylphenoxy)butan-1-amine is sourced from PubChem (CID 70646087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).