5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine

C16H27N3O — CID 103388717

IUPAC5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine
SMILESCOCC(CCCN)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H27N3O/c1-20-13-15(5-4-10-17)18-14-6-8-16(9-7-14)19-11-2-3-12-19/h6-9,15,18H,2-5,10-13,17H2,1H3
InChIKeyDEQLRQUMTHJAAC-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.45
Rot. Bonds8

About 5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine

5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine (PubChem CID 103388717) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine
PubChem CID103388717
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine
SMILESCOCC(CCCN)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H27N3O/c1-20-13-15(5-4-10-17)18-14-6-8-16(9-7-14)19-11-2-3-12-19/h6-9,15,18H,2-5,10-13,17H2,1H3
InChIKeyDEQLRQUMTHJAAC-UHFFFAOYSA-N
XLogP2.45
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine
CID 103389279
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide
CID 103388125
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine
CID 103389195
ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate
CID 103387754
2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide
CID 103388398
N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline
CID 43732186
5-methoxy-4-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentane-1,4-diamine
CID 103387948
4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine
CID 103390438
1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol
CID 63929256
4-N-[4-(1H-imidazol-5-yl)phenyl]-5-methoxypentane-1,4-diamine
CID 103388549
N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine
CID 83949113

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine (CID 103388717) is 5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine is COCC(CCCN)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine?
The InChIKey is DEQLRQUMTHJAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-20-13-15(5-4-10-17)18-14-6-8-16(9-7-14)19-11-2-3-12-19/h6-9,15,18H,2-5,10-13,17H2,1H3.
What are the key properties of 5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine?
5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine has a molecular weight of 277.41 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine is sourced from PubChem (CID 103388717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).