2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine

C18H31NO — CID 83046661

IUPAC2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-7-8-17(13-19-14(2)3)20-16-11-9-15(10-12-16)18(4,5)6/h9-12,14,17,19H,7-8,13H2,1-6H3
InChIKeyJEVFWMMOBXCQGG-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.53
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine

2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine (PubChem CID 83046661) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine
PubChem CID83046661
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-7-8-17(13-19-14(2)3)20-16-11-9-15(10-12-16)18(4,5)6/h9-12,14,17,19H,7-8,13H2,1-6H3
InChIKeyJEVFWMMOBXCQGG-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83044144
2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83043937
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045052
2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine
CID 83045043
2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine
CID 107887144
2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55196778
2-(2-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045581
N-tert-butyl-2-phenoxypentan-1-amine
CID 83043967
N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine
CID 83044258
N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine
CID 83049497
(3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine
CID 69455400
N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine
CID 63505573

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine (CID 83046661) is 2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine is CCCC(CNC(C)C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine?
The InChIKey is JEVFWMMOBXCQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-8-17(13-19-14(2)3)20-16-11-9-15(10-12-16)18(4,5)6/h9-12,14,17,19H,7-8,13H2,1-6H3.
What are the key properties of 2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine?
2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 83046661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).