4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine

C16H29N3O2 — CID 103389195

IUPAC4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C16H29N3O2/c1-19(2)11-12-21-16-8-6-14(7-9-16)18-15(13-20-3)5-4-10-17/h6-9,15,18H,4-5,10-13,17H2,1-3H3
InChIKeyJLKUPQOUUKDPAZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.79
Rot. Bonds11

About 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine

4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine (PubChem CID 103389195) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine
PubChem CID103389195
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C16H29N3O2/c1-19(2)11-12-21-16-8-6-14(7-9-16)18-15(13-20-3)5-4-10-17/h6-9,15,18H,4-5,10-13,17H2,1-3H3
InChIKeyJLKUPQOUUKDPAZ-UHFFFAOYSA-N
XLogP1.79
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide
CID 103388398
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide
CID 103388125
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 54862447
5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine
CID 103388717
4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine
CID 103390438
N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine
CID 117097736
ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate
CID 103387754
4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline
CID 82539793
4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline
CID 54863929
3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 103388445
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine (CID 103389195) is 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine is COCC(CCCN)Nc1ccc(OCCN(C)C)cc1.
What is the InChIKey of 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine?
The InChIKey is JLKUPQOUUKDPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-19(2)11-12-21-16-8-6-14(7-9-16)18-15(13-20-3)5-4-10-17/h6-9,15,18H,4-5,10-13,17H2,1-3H3.
What are the key properties of 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine?
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine has a molecular weight of 295.43 g/mol, XLogP of 1.79, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103389195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).