N-benzyl-2-ethoxypentan-1-amine

C14H23NO — CID 175401968

IUPACN-benzyl-2-ethoxypentan-1-amine
SMILESCCCC(CNCc1ccccc1)OCC
InChIInChI=1S/C14H23NO/c1-3-8-14(16-4-2)12-15-11-13-9-6-5-7-10-13/h5-7,9-10,14-15H,3-4,8,11-12H2,1-2H3
InChIKeyKFPDJUGPIZCTGS-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.98
Rot. Bonds8

About N-benzyl-2-ethoxypentan-1-amine

N-benzyl-2-ethoxypentan-1-amine (PubChem CID 175401968) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-benzyl-2-ethoxypentan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-ethoxypentan-1-amine
PubChem CID175401968
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-benzyl-2-ethoxypentan-1-amine
SMILESCCCC(CNCc1ccccc1)OCC
InChIInChI=1S/C14H23NO/c1-3-8-14(16-4-2)12-15-11-13-9-6-5-7-10-13/h5-7,9-10,14-15H,3-4,8,11-12H2,1-2H3
InChIKeyKFPDJUGPIZCTGS-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

(2R)-N-benzyl-2-ethylhexan-1-amine
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N-methyl-2-(3-phenylpropoxy)pentan-1-amine
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N-benzyl-2-methylicosan-1-amine
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N-benzyl-2-methylpropan-1-amine;ethane
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N-benzyl-2-methoxypropan-1-amine
CID 58887986
hexan-3-yloxymethylbenzene
CID 20782034
ethyl (2S)-3-(benzylamino)-2-methylsulfanylpropanoate
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CID 71341698
(2S)-1-(benzylamino)dodecan-2-ol
CID 98082078
1-(benzylamino)decan-2-ol
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(2S)-1-(benzylamino)propan-2-ol
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N-benzyl-2-phenylbutan-1-amine
CID 60658494

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-ethoxypentan-1-amine?
The IUPAC name of N-benzyl-2-ethoxypentan-1-amine (CID 175401968) is N-benzyl-2-ethoxypentan-1-amine.
What is the SMILES notation for N-benzyl-2-ethoxypentan-1-amine?
The canonical SMILES for N-benzyl-2-ethoxypentan-1-amine is CCCC(CNCc1ccccc1)OCC.
What is the InChIKey of N-benzyl-2-ethoxypentan-1-amine?
The InChIKey is KFPDJUGPIZCTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-8-14(16-4-2)12-15-11-13-9-6-5-7-10-13/h5-7,9-10,14-15H,3-4,8,11-12H2,1-2H3.
What are the key properties of N-benzyl-2-ethoxypentan-1-amine?
N-benzyl-2-ethoxypentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-ethoxypentan-1-amine is sourced from PubChem (CID 175401968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).