6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine

C19H33NO — CID 103020013

IUPAC6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine
SMILESCOC(C)(C)CCCC(CNCC(C)C)c1ccccc1
InChIInChI=1S/C19H33NO/c1-16(2)14-20-15-18(17-10-7-6-8-11-17)12-9-13-19(3,4)21-5/h6-8,10-11,16,18,20H,9,12-15H2,1-5H3
InChIKeyVSMQAKDXEJQZIF-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.61
Rot. Bonds10

About 6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine

6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine (PubChem CID 103020013) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine.

Molecular Properties

Compound Name6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine
PubChem CID103020013
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine
SMILESCOC(C)(C)CCCC(CNCC(C)C)c1ccccc1
InChIInChI=1S/C19H33NO/c1-16(2)14-20-15-18(17-10-7-6-8-11-17)12-9-13-19(3,4)21-5/h6-8,10-11,16,18,20H,9,12-15H2,1-5H3
InChIKeyVSMQAKDXEJQZIF-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036902
2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036952
N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
CID 103984701
2-benzyl-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036646
6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine
CID 103019805
3-(2-methylpropylamino)-2-phenylpropan-1-ol
CID 115876691
N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine
CID 81026656
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
5-methoxy-2,5-dimethyl-1-phenylhexan-1-ol
CID 103036478
N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine
CID 103036870
2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437714
N-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine
CID 81027801

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine?
The IUPAC name of 6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine (CID 103020013) is 6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine.
What is the SMILES notation for 6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine?
The canonical SMILES for 6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine is COC(C)(C)CCCC(CNCC(C)C)c1ccccc1.
What is the InChIKey of 6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine?
The InChIKey is VSMQAKDXEJQZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-16(2)14-20-15-18(17-10-7-6-8-11-17)12-9-13-19(3,4)21-5/h6-8,10-11,16,18,20H,9,12-15H2,1-5H3.
What are the key properties of 6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine?
6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine is sourced from PubChem (CID 103020013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).