N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine

C16H27NO — CID 62572033

IUPACN-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine
SMILESCCC(C)NCC(C)Oc1ccccc1C(C)C
InChIInChI=1S/C16H27NO/c1-6-13(4)17-11-14(5)18-16-10-8-7-9-15(16)12(2)3/h7-10,12-14,17H,6,11H2,1-5H3
InChIKeyMQUMASNGZWTWLH-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.97
Rot. Bonds7

About N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine

N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine (PubChem CID 62572033) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine
PubChem CID62572033
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine
SMILESCCC(C)NCC(C)Oc1ccccc1C(C)C
InChIInChI=1S/C16H27NO/c1-6-13(4)17-11-14(5)18-16-10-8-7-9-15(16)12(2)3/h7-10,12-14,17H,6,11H2,1-5H3
InChIKeyMQUMASNGZWTWLH-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenoxypropyl)butan-2-amine
CID 54802133
4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine
CID 64708098
N-[(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]ethyl]-2-methylpropan-1-amine
CID 100556033
2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine
CID 54798619
(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007357
2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide
CID 82110113
2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62572170
N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine
CID 46736333
N-methyl-2-propan-2-yl-N-[2-(2-propan-2-ylphenoxy)propyl]aniline
CID 138545662
N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine
CID 62571241
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine
CID 62571340
N-[2-(3,4-dimethylphenoxy)propyl]butan-2-amine
CID 55092854

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine?
The IUPAC name of N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine (CID 62572033) is N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine.
What is the SMILES notation for N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine?
The canonical SMILES for N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine is CCC(C)NCC(C)Oc1ccccc1C(C)C.
What is the InChIKey of N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine?
The InChIKey is MQUMASNGZWTWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-13(4)17-11-14(5)18-16-10-8-7-9-15(16)12(2)3/h7-10,12-14,17H,6,11H2,1-5H3.
What are the key properties of N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine?
N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine is sourced from PubChem (CID 62572033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).