1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine

C17H29NO — CID 79412348

IUPAC1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1cc(C)ccc1OC)NC(C)C
InChIInChI=1S/C17H29NO/c1-6-7-8-16(18-13(2)3)12-15-11-14(4)9-10-17(15)19-5/h9-11,13,16,18H,6-8,12H2,1-5H3
InChIKeyNZGDAHJNISSGFS-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.10
Rot. Bonds8

About 1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine

1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine (PubChem CID 79412348) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine
PubChem CID79412348
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1cc(C)ccc1OC)NC(C)C
InChIInChI=1S/C17H29NO/c1-6-7-8-16(18-13(2)3)12-15-11-14(4)9-10-17(15)19-5/h9-11,13,16,18H,6-8,12H2,1-5H3
InChIKeyNZGDAHJNISSGFS-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine
CID 115826522
N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine
CID 62199273
1-(3-bromo-4-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79411886
1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79412793
1-(2-methoxy-5-methylphenyl)undecan-2-amine
CID 115826519
1-(2-methoxy-5-methylphenyl)decan-2-ol
CID 115781450
butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
CID 144898289
1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693208
[1-(2-methoxy-5-methylphenyl)-4-propoxybutan-2-yl]hydrazine
CID 105291973
3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
CID 103454840
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine (CID 79412348) is 1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine is CCCCC(Cc1cc(C)ccc1OC)NC(C)C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine?
The InChIKey is NZGDAHJNISSGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-7-8-16(18-13(2)3)12-15-11-14(4)9-10-17(15)19-5/h9-11,13,16,18H,6-8,12H2,1-5H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine?
1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine is sourced from PubChem (CID 79412348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).