[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine

C16H26N2O2 — CID 61493596

IUPAC[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
SMILESCCOc1cc(CN)ccc1OCCCN1CCCC1
InChIInChI=1S/C16H26N2O2/c1-2-19-16-12-14(13-17)6-7-15(16)20-11-5-10-18-8-3-4-9-18/h6-7,12H,2-5,8-11,13,17H2,1H3
InChIKeySMMHZJYQVVNPBP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.41
Rot. Bonds8

About [3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine

[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine (PubChem CID 61493596) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
PubChem CID61493596
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
SMILESCCOc1cc(CN)ccc1OCCCN1CCCC1
InChIInChI=1S/C16H26N2O2/c1-2-19-16-12-14(13-17)6-7-15(16)20-11-5-10-18-8-3-4-9-18/h6-7,12H,2-5,8-11,13,17H2,1H3
InChIKeySMMHZJYQVVNPBP-UHFFFAOYSA-N
XLogP2.41
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 20987572
1-[3-[4-butyl-2-(3-piperidin-1-ylpropoxy)phenoxy]propyl]piperidine
CID 131729850
[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine
CID 61483340
[3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 61491518
2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 28967218
[3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999274
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 61494131
3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 170867775
2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol
CID 129295645
3-ethoxy-4-(2-piperidin-1-ylethoxy)benzenecarbothioamide
CID 20993050
[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine
CID 43122482
3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 99958476

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine?
The IUPAC name of [3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine (CID 61493596) is [3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine.
What is the SMILES notation for [3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine?
The canonical SMILES for [3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine is CCOc1cc(CN)ccc1OCCCN1CCCC1.
What is the InChIKey of [3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine?
The InChIKey is SMMHZJYQVVNPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-19-16-12-14(13-17)6-7-15(16)20-11-5-10-18-8-3-4-9-18/h6-7,12H,2-5,8-11,13,17H2,1H3.
What are the key properties of [3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine?
[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine is sourced from PubChem (CID 61493596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).