4-methyl-7-phenoxy-N-propylheptan-3-amine

C17H29NO — CID 63560800

IUPAC4-methyl-7-phenoxy-N-propylheptan-3-amine
SMILESCCCNC(CC)C(C)CCCOc1ccccc1
InChIInChI=1S/C17H29NO/c1-4-13-18-17(5-2)15(3)10-9-14-19-16-11-7-6-8-12-16/h6-8,11-12,15,17-18H,4-5,9-10,13-14H2,1-3H3
InChIKeyFMYVULDPTUGCAD-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.26
Rot. Bonds10

About 4-methyl-7-phenoxy-N-propylheptan-3-amine

4-methyl-7-phenoxy-N-propylheptan-3-amine (PubChem CID 63560800) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4-methyl-7-phenoxy-N-propylheptan-3-amine.

Molecular Properties

Compound Name4-methyl-7-phenoxy-N-propylheptan-3-amine
PubChem CID63560800
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4-methyl-7-phenoxy-N-propylheptan-3-amine
SMILESCCCNC(CC)C(C)CCCOc1ccccc1
InChIInChI=1S/C17H29NO/c1-4-13-18-17(5-2)15(3)10-9-14-19-16-11-7-6-8-12-16/h6-8,11-12,15,17-18H,4-5,9-10,13-14H2,1-3H3
InChIKeyFMYVULDPTUGCAD-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.26
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

4-methyl-7-phenoxyheptan-3-ol
CID 63562397
2-methyl-1-phenyl-N-propylpentan-3-amine
CID 63561010
1-phenoxy-N-propylnonan-3-amine
CID 63414499
N-ethyl-6-methyl-1-phenoxyheptan-4-amine
CID 78918808
5-methoxy-1-phenoxy-N-propylpentan-2-amine
CID 112688298
4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine
CID 107893363
(4-methyl-1-phenoxyhexan-3-yl)hydrazine
CID 105191489
2-methyl-6-phenoxy-N-propylhexan-1-amine
CID 64664128
N-(2-phenoxyethyl)octan-2-amine
CID 60689825
6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine
CID 105185190
4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine
CID 63560225
2,3-dimethyl-6-phenoxyhexanoic acid
CID 81008154

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-phenoxy-N-propylheptan-3-amine?
The IUPAC name of 4-methyl-7-phenoxy-N-propylheptan-3-amine (CID 63560800) is 4-methyl-7-phenoxy-N-propylheptan-3-amine.
What is the SMILES notation for 4-methyl-7-phenoxy-N-propylheptan-3-amine?
The canonical SMILES for 4-methyl-7-phenoxy-N-propylheptan-3-amine is CCCNC(CC)C(C)CCCOc1ccccc1.
What is the InChIKey of 4-methyl-7-phenoxy-N-propylheptan-3-amine?
The InChIKey is FMYVULDPTUGCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-13-18-17(5-2)15(3)10-9-14-19-16-11-7-6-8-12-16/h6-8,11-12,15,17-18H,4-5,9-10,13-14H2,1-3H3.
What are the key properties of 4-methyl-7-phenoxy-N-propylheptan-3-amine?
4-methyl-7-phenoxy-N-propylheptan-3-amine has a molecular weight of 263.42 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-phenoxy-N-propylheptan-3-amine is sourced from PubChem (CID 63560800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).