N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine

C17H30N2O — CID 114478718

IUPACN-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
SMILESCCC(CC)N(CCOC)Cc1ccc(CN)cc1C
InChIInChI=1S/C17H30N2O/c1-5-17(6-2)19(9-10-20-4)13-16-8-7-15(12-18)11-14(16)3/h7-8,11,17H,5-6,9-10,12-13,18H2,1-4H3
InChIKeyOFSRMMUHXIQKFV-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.09
Rot. Bonds9

About N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine

N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine (PubChem CID 114478718) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
PubChem CID114478718
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
SMILESCCC(CC)N(CCOC)Cc1ccc(CN)cc1C
InChIInChI=1S/C17H30N2O/c1-5-17(6-2)19(9-10-20-4)13-16-8-7-15(12-18)11-14(16)3/h7-8,11,17H,5-6,9-10,12-13,18H2,1-4H3
InChIKeyOFSRMMUHXIQKFV-UHFFFAOYSA-N
XLogP3.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
The IUPAC name of N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine (CID 114478718) is N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
The canonical SMILES for N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine is CCC(CC)N(CCOC)Cc1ccc(CN)cc1C.
What is the InChIKey of N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
The InChIKey is OFSRMMUHXIQKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-17(6-2)19(9-10-20-4)13-16-8-7-15(12-18)11-14(16)3/h7-8,11,17H,5-6,9-10,12-13,18H2,1-4H3.
What are the key properties of N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine has a molecular weight of 278.44 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine is sourced from PubChem (CID 114478718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).