4-(chloromethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)oxan-4-amine

C16H22ClNO — CID 106299678

IUPAC4-(chloromethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)oxan-4-amine
SMILESClCC1(NCc2ccc3c(c2)CCC3)CCOCC1
InChIInChI=1S/C16H22ClNO/c17-12-16(6-8-19-9-7-16)18-11-13-4-5-14-2-1-3-15(14)10-13/h4-5,10,18H,1-3,6-9,11-12H2
InChIKeyLEMRPWOKUYZOGH-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.05
Rot. Bonds4

About 4-(chloromethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)oxan-4-amine

4-(chloromethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)oxan-4-amine (PubChem CID 106299678) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)oxan-4-amine
PubChem CID106299678
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name4-(chloromethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)oxan-4-amine
SMILESClCC1(NCc2ccc3c(c2)CCC3)CCOCC1
InChIInChI=1S/C16H22ClNO/c17-12-16(6-8-19-9-7-16)18-11-13-4-5-14-2-1-3-15(14)10-13/h4-5,10,18H,1-3,6-9,11-12H2
InChIKeyLEMRPWOKUYZOGH-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-4-(chloromethyl)oxan-4-amine
CID 106299696
3-(chloromethyl)-3-(2,3-dihydro-1H-inden-5-ylmethyl)oxane
CID 66036644
N-[(4-chloro-3-fluorophenyl)methyl]-1-(chloromethyl)cyclopentan-1-amine
CID 107887426
N-[(4-chloro-3-fluorophenyl)methyl]-1-(chloromethyl)cyclobutan-1-amine
CID 107887602
N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103954059
N-(2,3-dihydro-1H-inden-5-ylmethyl)ethenamine
CID 134268692
N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 106297138
2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 65024077
[4-[(4-bromo-3-methylphenyl)methylamino]oxan-4-yl]methanol
CID 71984686
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol
CID 65314706
5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine
CID 107319955

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)oxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)oxan-4-amine (CID 106299678) is 4-(chloromethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)oxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)oxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)oxan-4-amine is ClCC1(NCc2ccc3c(c2)CCC3)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)oxan-4-amine?
The InChIKey is LEMRPWOKUYZOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-12-16(6-8-19-9-7-16)18-11-13-4-5-14-2-1-3-15(14)10-13/h4-5,10,18H,1-3,6-9,11-12H2.
What are the key properties of 4-(chloromethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)oxan-4-amine?
4-(chloromethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)oxan-4-amine has a molecular weight of 279.81 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)oxan-4-amine is sourced from PubChem (CID 106299678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).