2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine

C19H33NO — CID 103285685

IUPAC2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine
SMILESCCCC(C)COCc1ccc(CCNCC(C)C)cc1
InChIInChI=1S/C19H33NO/c1-5-6-17(4)14-21-15-19-9-7-18(8-10-19)11-12-20-13-16(2)3/h7-10,16-17,20H,5-6,11-15H2,1-4H3
InChIKeyROAXAEYIPBDKKS-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.43
Rot. Bonds11

About 2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine

2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine (PubChem CID 103285685) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine
PubChem CID103285685
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine
SMILESCCCC(C)COCc1ccc(CCNCC(C)C)cc1
InChIInChI=1S/C19H33NO/c1-5-6-17(4)14-21-15-19-9-7-18(8-10-19)11-12-20-13-16(2)3/h7-10,16-17,20H,5-6,11-15H2,1-4H3
InChIKeyROAXAEYIPBDKKS-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine
CID 105349058
1-iodo-4-(2-methylpentoxymethyl)benzene
CID 103284629
2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine
CID 103285679
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-1-amine
CID 105350635
N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 105349885
2-methyl-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 60983758
N-ethyl-2-[2-(2-methylpentoxymethyl)phenyl]ethanamine
CID 103285684
5-(2-methylpentoxy)-N-(2-methylpropyl)pentan-1-amine
CID 103285585
2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine
CID 105349335
6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine
CID 103285710
2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine
CID 60902535
N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine
CID 103285688

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine (CID 103285685) is 2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine is CCCC(C)COCc1ccc(CCNCC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is ROAXAEYIPBDKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-6-17(4)14-21-15-19-9-7-18(8-10-19)11-12-20-13-16(2)3/h7-10,16-17,20H,5-6,11-15H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine?
2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.43, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 103285685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).