2-phenylmethoxy-N-propan-2-ylbutan-1-amine

C14H23NO — CID 62446151

IUPAC2-phenylmethoxy-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)OCc1ccccc1
InChIInChI=1S/C14H23NO/c1-4-14(10-15-12(2)3)16-11-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3
InChIKeyWADADJKXKQGEMJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.98
Rot. Bonds7

About 2-phenylmethoxy-N-propan-2-ylbutan-1-amine

2-phenylmethoxy-N-propan-2-ylbutan-1-amine (PubChem CID 62446151) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-phenylmethoxy-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-phenylmethoxy-N-propan-2-ylbutan-1-amine
PubChem CID62446151
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-phenylmethoxy-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)OCc1ccccc1
InChIInChI=1S/C14H23NO/c1-4-14(10-15-12(2)3)16-11-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3
InChIKeyWADADJKXKQGEMJ-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115002161
hexan-3-yloxymethylbenzene
CID 20782034
butan-2-yloxymethylbenzene;ethane
CID 161043537
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
3-phenylmethoxypentane-1-thiol
CID 21429433
(3S)-3-phenylmethoxypentanoic acid
CID 57355663
N-[2-(4-fluorophenyl)-2-phenylmethoxyethyl]propan-2-amine
CID 62108079
2-benzyl-N-propan-2-ylbutan-1-amine
CID 62528668
1-(1-propan-2-ylcyclopropyl)butan-2-yloxymethylbenzene
CID 91011115
N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine
CID 62106839
2-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62449487
2-phenylmethoxy-N-prop-2-ynylpropan-1-amine
CID 62566311

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-phenylmethoxy-N-propan-2-ylbutan-1-amine (CID 62446151) is 2-phenylmethoxy-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-phenylmethoxy-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-phenylmethoxy-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-N-propan-2-ylbutan-1-amine?
The InChIKey is WADADJKXKQGEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-14(10-15-12(2)3)16-11-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3.
What are the key properties of 2-phenylmethoxy-N-propan-2-ylbutan-1-amine?
2-phenylmethoxy-N-propan-2-ylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62446151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).