N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine

C17H28N2O — CID 43608548

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine
SMILESCCN(CC)Cc1ccc(CNC2CCOCC2)cc1
InChIInChI=1S/C17H28N2O/c1-3-19(4-2)14-16-7-5-15(6-8-16)13-18-17-9-11-20-12-10-17/h5-8,17-18H,3-4,9-14H2,1-2H3
InChIKeyOUJCZYYNLHTSOY-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.80
Rot. Bonds7

About N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine

N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine (PubChem CID 43608548) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine
PubChem CID43608548
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine
SMILESCCN(CC)Cc1ccc(CNC2CCOCC2)cc1
InChIInChI=1S/C17H28N2O/c1-3-19(4-2)14-16-7-5-15(6-8-16)13-18-17-9-11-20-12-10-17/h5-8,17-18H,3-4,9-14H2,1-2H3
InChIKeyOUJCZYYNLHTSOY-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 28680147
N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421784
N-[[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62420492
N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 80679484
N'-[[4-[(cyclopropylamino)methyl]phenyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997477
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62461060
N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
CID 105346462
4-[(oxan-4-ylamino)methyl]benzoic acid
CID 55049124
methyl 4-[(oxan-4-ylamino)methyl]benzoate
CID 43609902
N-benzyloxepan-4-amine
CID 65076712
N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421837
N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine
CID 66397450

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine (CID 43608548) is N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine is CCN(CC)Cc1ccc(CNC2CCOCC2)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine?
The InChIKey is OUJCZYYNLHTSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19(4-2)14-16-7-5-15(6-8-16)13-18-17-9-11-20-12-10-17/h5-8,17-18H,3-4,9-14H2,1-2H3.
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine?
N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine has a molecular weight of 276.42 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine is sourced from PubChem (CID 43608548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).