N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine

C18H31NO — CID 63503350

IUPACN-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
SMILESCCCC(CNCCOC)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H31NO/c1-5-6-17(14-19-11-12-20-4)13-16-7-9-18(10-8-16)15(2)3/h7-10,15,17,19H,5-6,11-14H2,1-4H3
InChIKeyKOAHQBJSCDFYLF-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.00
Rot. Bonds10

About N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine

N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine (PubChem CID 63503350) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
PubChem CID63503350
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
SMILESCCCC(CNCCOC)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H31NO/c1-5-6-17(14-19-11-12-20-4)13-16-7-9-18(10-8-16)15(2)3/h7-10,15,17,19H,5-6,11-14H2,1-4H3
InChIKeyKOAHQBJSCDFYLF-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.00
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-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 62720076
2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine
CID 63503519
N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine
CID 62718541
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 55134646
N-(2-methoxyethyl)-2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62719047
2-[(4-chlorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984648
2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 107309735
2-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 62718813
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine
CID 104649200
2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-methylheptan-1-amine
CID 63504029

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine (CID 63503350) is N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine is CCCC(CNCCOC)Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine?
The InChIKey is KOAHQBJSCDFYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-6-17(14-19-11-12-20-4)13-16-7-9-18(10-8-16)15(2)3/h7-10,15,17,19H,5-6,11-14H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine?
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 63503350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).