2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine

C18H31NO — CID 63496934

IUPAC2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CNCC(C)C)Cc1cc(C)ccc1OC
InChIInChI=1S/C18H31NO/c1-6-7-16(13-19-12-14(2)3)11-17-10-15(4)8-9-18(17)20-5/h8-10,14,16,19H,6-7,11-13H2,1-5H3
InChIKeyKMSCYFWECOBOOB-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.21
Rot. Bonds9

About 2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine

2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine (PubChem CID 63496934) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
PubChem CID63496934
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CNCC(C)C)Cc1cc(C)ccc1OC
InChIInChI=1S/C18H31NO/c1-6-7-16(13-19-12-14(2)3)11-17-10-15(4)8-9-18(17)20-5/h8-10,14,16,19H,6-7,11-13H2,1-5H3
InChIKeyKMSCYFWECOBOOB-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64666050
N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
CID 62717677
1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
CID 103454840
butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
CID 144898289
2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene
CID 66035867
N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine
CID 43406677
1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine
CID 79412348
3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
CID 55041467
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
1-(2-methoxy-5-methylphenyl)decan-2-ol
CID 115781450
N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine
CID 62199273

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine (CID 63496934) is 2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine is CCCC(CNCC(C)C)Cc1cc(C)ccc1OC.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is KMSCYFWECOBOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-7-16(13-19-12-14(2)3)11-17-10-15(4)8-9-18(17)20-5/h8-10,14,16,19H,6-7,11-13H2,1-5H3.
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 63496934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).