3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine

C17H28N2O3 — CID 170867775

IUPAC3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
SMILESCCOc1cc(CCCN)ccc1OCCN1CCOCC1
InChIInChI=1S/C17H28N2O3/c1-2-21-17-14-15(4-3-7-18)5-6-16(17)22-13-10-19-8-11-20-12-9-19/h5-6,14H,2-4,7-13,18H2,1H3
InChIKeyJTHGXNHDZQAKBB-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.69
Rot. Bonds9

About 3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine

3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine (PubChem CID 170867775) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
PubChem CID170867775
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
SMILESCCOc1cc(CCCN)ccc1OCCN1CCOCC1
InChIInChI=1S/C17H28N2O3/c1-2-21-17-14-15(4-3-7-18)5-6-16(17)22-13-10-19-8-11-20-12-9-19/h5-6,14H,2-4,7-13,18H2,1H3
InChIKeyJTHGXNHDZQAKBB-UHFFFAOYSA-N
XLogP1.69
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22687397
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine
CID 170870173
2-[3-chloro-5-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22681076
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
CID 170869317
3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane
CID 58000804
4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
CID 2993564
[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 61493596
4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 20986226
4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine
CID 170870404

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine?
The IUPAC name of 3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine (CID 170867775) is 3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine is CCOc1cc(CCCN)ccc1OCCN1CCOCC1.
What is the InChIKey of 3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine?
The InChIKey is JTHGXNHDZQAKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-2-21-17-14-15(4-3-7-18)5-6-16(17)22-13-10-19-8-11-20-12-9-19/h5-6,14H,2-4,7-13,18H2,1H3.
What are the key properties of 3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine?
3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine has a molecular weight of 308.42 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 170867775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).