N-[(2-ethoxyphenyl)methyl]pentan-2-amine

C14H23NO — CID 43177718

IUPACN-[(2-ethoxyphenyl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1ccccc1OCC
InChIInChI=1S/C14H23NO/c1-4-8-12(3)15-11-13-9-6-7-10-14(13)16-5-2/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3
InChIKeyZEMZZWNEXMLYLB-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.36
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]pentan-2-amine

N-[(2-ethoxyphenyl)methyl]pentan-2-amine (PubChem CID 43177718) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]pentan-2-amine
PubChem CID43177718
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(2-ethoxyphenyl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1ccccc1OCC
InChIInChI=1S/C14H23NO/c1-4-8-12(3)15-11-13-9-6-7-10-14(13)16-5-2/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3
InChIKeyZEMZZWNEXMLYLB-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine
CID 104868300
1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine
CID 43677385
N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine
CID 63843803
(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652621
(2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine
CID 29221946
4-(2-ethoxyphenyl)-N-ethylbutan-2-amine
CID 64504944
N-[(2-prop-2-ynoxyphenyl)methyl]octan-2-amine
CID 43220796
2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 115591499
4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 64604622
1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
CID 43221588
N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine
CID 62433074

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]pentan-2-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]pentan-2-amine (CID 43177718) is N-[(2-ethoxyphenyl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]pentan-2-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]pentan-2-amine is CCCC(C)NCc1ccccc1OCC.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]pentan-2-amine?
The InChIKey is ZEMZZWNEXMLYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-8-12(3)15-11-13-9-6-7-10-14(13)16-5-2/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]pentan-2-amine?
N-[(2-ethoxyphenyl)methyl]pentan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]pentan-2-amine is sourced from PubChem (CID 43177718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).