N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C15H26FN3 — CID 102991464

IUPACN'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)C(CN)c1ccccc1F
InChIInChI=1S/C15H26FN3/c1-4-19(11-7-10-18(2)3)15(12-17)13-8-5-6-9-14(13)16/h5-6,8-9,15H,4,7,10-12,17H2,1-3H3
InChIKeyBYEILZDAOVGIAA-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.10
Rot. Bonds8

About N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102991464) has the molecular formula C15H26FN3 and a molecular weight of 267.39 g/mol. Its IUPAC name is N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102991464
Molecular FormulaC15H26FN3
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC NameN'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)C(CN)c1ccccc1F
InChIInChI=1S/C15H26FN3/c1-4-19(11-7-10-18(2)3)15(12-17)13-8-5-6-9-14(13)16/h5-6,8-9,15H,4,7,10-12,17H2,1-3H3
InChIKeyBYEILZDAOVGIAA-UHFFFAOYSA-N
XLogP2.10
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-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

N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102992025
N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991984
N'-[2-amino-1-(3-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991412
N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine
CID 107397363
N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991504
1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine
CID 43268646
N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991476
N-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 82043559
1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269458
3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol
CID 113468616
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 54986740
1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine
CID 16794999

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102991464) is N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)C(CN)c1ccccc1F.
What is the InChIKey of N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is BYEILZDAOVGIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3/c1-4-19(11-7-10-18(2)3)15(12-17)13-8-5-6-9-14(13)16/h5-6,8-9,15H,4,7,10-12,17H2,1-3H3.
What are the key properties of N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 267.39 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102991464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).