7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine

C17H29NO — CID 65443642

IUPAC7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine
SMILESCNC(CCCCc1ccc(OC)cc1)C(C)(C)C
InChIInChI=1S/C17H29NO/c1-17(2,3)16(18-4)9-7-6-8-14-10-12-15(19-5)13-11-14/h10-13,16,18H,6-9H2,1-5H3
InChIKeyYXYOFVNUMQYXGJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.04
Rot. Bonds7

About 7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine

7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine (PubChem CID 65443642) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine
PubChem CID65443642
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine
SMILESCNC(CCCCc1ccc(OC)cc1)C(C)(C)C
InChIInChI=1S/C17H29NO/c1-17(2,3)16(18-4)9-7-6-8-14-10-12-15(19-5)13-11-14/h10-13,16,18H,6-9H2,1-5H3
InChIKeyYXYOFVNUMQYXGJ-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.04
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

1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine
CID 103396754
1-(5-chloroheptyl)-4-methoxybenzene
CID 65443850
7-(4-methoxyphenyl)-2-propan-2-ylheptanoic acid
CID 139937457
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
8-(4-methoxyphenyl)octan-4-amine
CID 65442846
4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 105152237
6-(4-methoxyphenyl)-2-methylhexan-3-amine
CID 83932077
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine?
The IUPAC name of 7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine (CID 65443642) is 7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine.
What is the SMILES notation for 7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine?
The canonical SMILES for 7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine is CNC(CCCCc1ccc(OC)cc1)C(C)(C)C.
What is the InChIKey of 7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine?
The InChIKey is YXYOFVNUMQYXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-17(2,3)16(18-4)9-7-6-8-14-10-12-15(19-5)13-11-14/h10-13,16,18H,6-9H2,1-5H3.
What are the key properties of 7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine?
7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine has a molecular weight of 263.43 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine is sourced from PubChem (CID 65443642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).