N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine

C17H30N2O2 — CID 82942694

IUPACN-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine
SMILESCCNCc1ccc(OCCN(CCOC)C(C)C)cc1
InChIInChI=1S/C17H30N2O2/c1-5-18-14-16-6-8-17(9-7-16)21-13-11-19(15(2)3)10-12-20-4/h6-9,15,18H,5,10-14H2,1-4H3
InChIKeyQBYJIEQQSQGZBW-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.53
Rot. Bonds11

About N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine

N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine (PubChem CID 82942694) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine
PubChem CID82942694
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine
SMILESCCNCc1ccc(OCCN(CCOC)C(C)C)cc1
InChIInChI=1S/C17H30N2O2/c1-5-18-14-16-6-8-17(9-7-16)21-13-11-19(15(2)3)10-12-20-4/h6-9,15,18H,5,10-14H2,1-4H3
InChIKeyQBYJIEQQSQGZBW-UHFFFAOYSA-N
XLogP2.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine
CID 63007403
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine
CID 62420374
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 55074731
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine
CID 105348193
N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide
CID 82939708
N-[(4-butoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843608
3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022768
N-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 62413212
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine
CID 82734709
N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]ethanamine
CID 82007121
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62421824
N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine
CID 62289550

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine?
The IUPAC name of N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine (CID 82942694) is N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine.
What is the SMILES notation for N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine?
The canonical SMILES for N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine is CCNCc1ccc(OCCN(CCOC)C(C)C)cc1.
What is the InChIKey of N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine?
The InChIKey is QBYJIEQQSQGZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-18-14-16-6-8-17(9-7-16)21-13-11-19(15(2)3)10-12-20-4/h6-9,15,18H,5,10-14H2,1-4H3.
What are the key properties of N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine?
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine has a molecular weight of 294.44 g/mol, XLogP of 2.53, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine is sourced from PubChem (CID 82942694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).