N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine

C16H26N2O — CID 63360053

IUPACN-[[4-(diethylamino)phenyl]methyl]oxan-3-amine
SMILESCCN(CC)c1ccc(CNC2CCCOC2)cc1
InChIInChI=1S/C16H26N2O/c1-3-18(4-2)16-9-7-14(8-10-16)12-17-15-6-5-11-19-13-15/h7-10,15,17H,3-6,11-13H2,1-2H3
InChIKeyDBPPWDMPSNBPCO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.80
Rot. Bonds6

About N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine

N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine (PubChem CID 63360053) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]oxan-3-amine
PubChem CID63360053
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]oxan-3-amine
SMILESCCN(CC)c1ccc(CNC2CCCOC2)cc1
InChIInChI=1S/C16H26N2O/c1-3-18(4-2)16-9-7-14(8-10-16)12-17-15-6-5-11-19-13-15/h7-10,15,17H,3-6,11-13H2,1-2H3
InChIKeyDBPPWDMPSNBPCO-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine
CID 4719916
N,N-diethyl-4-[(oxan-3-ylmethylamino)methyl]aniline
CID 61019907
N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174
N-[(4-butoxyphenyl)methyl]oxan-3-amine
CID 63360097
N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine
CID 113328356
N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine
CID 115563782
N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline
CID 107399942
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173
2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine
CID 103864488
N-(1H-pyrrol-3-ylmethyl)oxan-3-amine
CID 66409421
2-chloro-4-[(oxan-3-ylamino)methyl]phenol
CID 63363487
(3R)-N-(pyrimidin-5-ylmethyl)oxan-3-amine
CID 130660711

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine (CID 63360053) is N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine is CCN(CC)c1ccc(CNC2CCCOC2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine?
The InChIKey is DBPPWDMPSNBPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-18(4-2)16-9-7-14(8-10-16)12-17-15-6-5-11-19-13-15/h7-10,15,17H,3-6,11-13H2,1-2H3.
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine?
N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine is sourced from PubChem (CID 63360053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).