1-ethoxy-N-ethyl-7-phenylheptan-4-amine

C17H29NO — CID 105139776

IUPAC1-ethoxy-N-ethyl-7-phenylheptan-4-amine
SMILESCCNC(CCCOCC)CCCc1ccccc1
InChIInChI=1S/C17H29NO/c1-3-18-17(14-9-15-19-4-2)13-8-12-16-10-6-5-7-11-16/h5-7,10-11,17-18H,3-4,8-9,12-15H2,1-2H3
InChIKeyUKIJERJYSNSKBK-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.80
Rot. Bonds11

About 1-ethoxy-N-ethyl-7-phenylheptan-4-amine

1-ethoxy-N-ethyl-7-phenylheptan-4-amine (PubChem CID 105139776) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-ethoxy-N-ethyl-7-phenylheptan-4-amine.

Molecular Properties

Compound Name1-ethoxy-N-ethyl-7-phenylheptan-4-amine
PubChem CID105139776
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-ethoxy-N-ethyl-7-phenylheptan-4-amine
SMILESCCNC(CCCOCC)CCCc1ccccc1
InChIInChI=1S/C17H29NO/c1-3-18-17(14-9-15-19-4-2)13-8-12-16-10-6-5-7-11-16/h5-7,10-11,17-18H,3-4,8-9,12-15H2,1-2H3
InChIKeyUKIJERJYSNSKBK-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.80
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-8,8,8-trifluoro-1-phenyloctan-4-amine
CID 105174493
1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine
CID 79086954
5-ethoxy-N-methyl-1-phenylpentan-2-amine
CID 105084642
6-ethoxyhexylbenzene
CID 54300935
1-methoxy-7-phenyl-N-propylheptan-4-amine
CID 65092055
N-ethyl-1-(furan-2-yl)-6-phenylhexan-3-amine
CID 105139753
1-(4-bromophenyl)-N-ethyl-5-phenylpentan-2-amine
CID 63412898
N-ethyl-1-(2-phenylethoxy)pentan-2-amine
CID 114999655
1-ethoxy-N-ethylundecan-4-amine
CID 105124652
1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine
CID 105152339
4-ethoxy-N-ethyl-1-phenoxybutan-2-amine
CID 115001987
1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
CID 62693417

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-ethyl-7-phenylheptan-4-amine?
The IUPAC name of 1-ethoxy-N-ethyl-7-phenylheptan-4-amine (CID 105139776) is 1-ethoxy-N-ethyl-7-phenylheptan-4-amine.
What is the SMILES notation for 1-ethoxy-N-ethyl-7-phenylheptan-4-amine?
The canonical SMILES for 1-ethoxy-N-ethyl-7-phenylheptan-4-amine is CCNC(CCCOCC)CCCc1ccccc1.
What is the InChIKey of 1-ethoxy-N-ethyl-7-phenylheptan-4-amine?
The InChIKey is UKIJERJYSNSKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-18-17(14-9-15-19-4-2)13-8-12-16-10-6-5-7-11-16/h5-7,10-11,17-18H,3-4,8-9,12-15H2,1-2H3.
What are the key properties of 1-ethoxy-N-ethyl-7-phenylheptan-4-amine?
1-ethoxy-N-ethyl-7-phenylheptan-4-amine has a molecular weight of 263.43 g/mol, XLogP of 3.80, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-ethyl-7-phenylheptan-4-amine is sourced from PubChem (CID 105139776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).