N-ethyl-7-methoxy-2-phenylheptan-3-amine

C16H27NO — CID 112754792

IUPACN-ethyl-7-methoxy-2-phenylheptan-3-amine
SMILESCCNC(CCCCOC)C(C)c1ccccc1
InChIInChI=1S/C16H27NO/c1-4-17-16(12-8-9-13-18-3)14(2)15-10-6-5-7-11-15/h5-7,10-11,14,16-17H,4,8-9,12-13H2,1-3H3
InChIKeyXUSCDPBUWPGYJC-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.58
Rot. Bonds9

About N-ethyl-7-methoxy-2-phenylheptan-3-amine

N-ethyl-7-methoxy-2-phenylheptan-3-amine (PubChem CID 112754792) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-7-methoxy-2-phenylheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-7-methoxy-2-phenylheptan-3-amine
PubChem CID112754792
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-7-methoxy-2-phenylheptan-3-amine
SMILESCCNC(CCCCOC)C(C)c1ccccc1
InChIInChI=1S/C16H27NO/c1-4-17-16(12-8-9-13-18-3)14(2)15-10-6-5-7-11-15/h5-7,10-11,14,16-17H,4,8-9,12-13H2,1-3H3
InChIKeyXUSCDPBUWPGYJC-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.58
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

N-ethyl-6-methoxy-2-phenylhexan-1-amine
CID 81024742
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713
N-ethyl-1-methoxy-2-phenylhexan-3-amine
CID 103466366
2-(ethylamino)-3-methoxy-1-phenylpropan-1-ol
CID 23396953
1-ethoxy-N-ethyl-1-phenylheptan-2-amine
CID 116773710
(1-bromo-6-methoxyhexyl)benzene
CID 64508790
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine
CID 62984847
2-(4-ethoxyphenyl)-N-ethylhexan-3-amine
CID 83051116
N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine
CID 104845517
N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine
CID 107009776
2-phenyl-N-propyloct-7-en-3-amine
CID 114029106
N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82953260

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methoxy-2-phenylheptan-3-amine?
The IUPAC name of N-ethyl-7-methoxy-2-phenylheptan-3-amine (CID 112754792) is N-ethyl-7-methoxy-2-phenylheptan-3-amine.
What is the SMILES notation for N-ethyl-7-methoxy-2-phenylheptan-3-amine?
The canonical SMILES for N-ethyl-7-methoxy-2-phenylheptan-3-amine is CCNC(CCCCOC)C(C)c1ccccc1.
What is the InChIKey of N-ethyl-7-methoxy-2-phenylheptan-3-amine?
The InChIKey is XUSCDPBUWPGYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-17-16(12-8-9-13-18-3)14(2)15-10-6-5-7-11-15/h5-7,10-11,14,16-17H,4,8-9,12-13H2,1-3H3.
What are the key properties of N-ethyl-7-methoxy-2-phenylheptan-3-amine?
N-ethyl-7-methoxy-2-phenylheptan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methoxy-2-phenylheptan-3-amine is sourced from PubChem (CID 112754792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).