N-methyl-2-(phenylmethoxymethyl)pentan-1-amine

C14H23NO — CID 102940428

IUPACN-methyl-2-(phenylmethoxymethyl)pentan-1-amine
SMILESCCCC(CNC)COCc1ccccc1
InChIInChI=1S/C14H23NO/c1-3-7-14(10-15-2)12-16-11-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3
InChIKeyICBLINWYPIDVLW-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.84
Rot. Bonds8

About N-methyl-2-(phenylmethoxymethyl)pentan-1-amine

N-methyl-2-(phenylmethoxymethyl)pentan-1-amine (PubChem CID 102940428) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-methyl-2-(phenylmethoxymethyl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(phenylmethoxymethyl)pentan-1-amine
PubChem CID102940428
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-methyl-2-(phenylmethoxymethyl)pentan-1-amine
SMILESCCCC(CNC)COCc1ccccc1
InChIInChI=1S/C14H23NO/c1-3-7-14(10-15-2)12-16-11-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3
InChIKeyICBLINWYPIDVLW-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine
CID 102940419
N-(2-methoxyethyl)-2-(phenylmethoxymethyl)pentan-1-amine
CID 102940526
3-(phenylmethoxymethyl)hexanoic acid
CID 174921830
2-(phenylmethoxymethyl)pentane-1-sulfonamide
CID 65013117
2-benzyloctoxymethylbenzene
CID 134979791
N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 20583824
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668
N-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62528721
3-(bromomethyl)hexoxymethylbenzene
CID 130537467
N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine
CID 102940569
N-methyl-2-(4-methylphenyl)-3-phenylmethoxypropan-1-amine
CID 102940575
dimethyltin;phenylmethoxymethylbenzene
CID 87392963

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(phenylmethoxymethyl)pentan-1-amine?
The IUPAC name of N-methyl-2-(phenylmethoxymethyl)pentan-1-amine (CID 102940428) is N-methyl-2-(phenylmethoxymethyl)pentan-1-amine.
What is the SMILES notation for N-methyl-2-(phenylmethoxymethyl)pentan-1-amine?
The canonical SMILES for N-methyl-2-(phenylmethoxymethyl)pentan-1-amine is CCCC(CNC)COCc1ccccc1.
What is the InChIKey of N-methyl-2-(phenylmethoxymethyl)pentan-1-amine?
The InChIKey is ICBLINWYPIDVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-7-14(10-15-2)12-16-11-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3.
What are the key properties of N-methyl-2-(phenylmethoxymethyl)pentan-1-amine?
N-methyl-2-(phenylmethoxymethyl)pentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(phenylmethoxymethyl)pentan-1-amine is sourced from PubChem (CID 102940428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).